| Properties | Image |
|---|
| MNX_ID | MNXM102386 |
 |
| reference | metacycM:CPD-14618 |
| formula | C18H14N4O3S2 |
| global charge | 0 |
| mol weight | 398.469 |
| InChIKey | GFJPDUMPOMYPCX-UHFFFAOYSA-N |
| InChI | InChI=1S/C18H14N4O3S2/c1-25-16(24)10-6-7-13-14(8-10)27-18(21-13)22-15(23)9-26-17-19-11-4-2-3-5-12(11)20-17/h2-8H,9H2,1H3,(H,19,20)(H,21,22,23) |
| SMILES | COC(=O)C1=CC2=C(C=C1)N=C(NC(=O)CSC1=NC3=C(C=CC=C3)N1)S2 |
MNX internals
| InChI (mnx) | InChI=1/C18H14N4O3S2/c1-25-16(24)10-6-7-13-14(8-10)27-18(21-13)22-15(23)9-26-17-19-11-4-2-3-5-12(11)20-17/h2-8H,9H2,1H3,(H,19,20)(H,21,22,23) |
 |
| SMILES (mnx) | [CH3:1][O:25][C:16]([C:10]1=[CH:8][C:14]2=[C:13]([CH:7]=[CH:6]1)[N:21]=[C:18]([N:22]=[C:15]([CH2:9][S:26][C:17]1=[N:19][C:11]3=[CH:4][CH:2]=[CH:3][CH:5]=[C:12]3[NH:20]1)[OH:23])[S:27]2)=[O:24] |
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