| Properties | Image |
| MNX_ID | MNXM1128937 |
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| reference | chebi:167806 |
| formula | C16H16N2O3S |
| global charge | 0 |
| mol weight | 316.382 |
| InChIKey | AOTVOGGFIITYNF-UHFFFAOYSA-N |
| InChI | InChI=1S/C16H16N2O3S/c1-2-3-4-5-7-12-9-10-13(21-12)15(19)17-18-16(20)14-8-6-11-22-14/h6,8-11H,2-4H2,1H3,(H,17,19)(H,18,20) |
| SMILES | CCCCC#CC1=CC=C(C(=O)NNC(=O)C2=CC=CS2)O1 |
MNX internals
| InChI (mnx) | InChI=1/C16H16N2O3S/c1-2-3-4-5-7-12-9-10-13(21-12)15(19)17-18-16(20)14-8-6-11-22-14/h6,8-11H,2-4H2,1H3,(H,17,19)(H,18,20) |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][C:5]#[C:7][C:12]1=[CH:9][CH:10]=[C:13]([C:15](=[N:17][N:18]=[C:16]([C:14]2=[CH:8][CH:6]=[CH:11][S:22]2)[OH:20])[OH:19])[O:21]1 |
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