C3-thiacarbocyanine

Properties Image MNX_ID MNXM119998 reference chebi:51895 formula C21H21IN2S2 global charge 0 mol weight 492.451 InChIKey VZBILKJHDPEENF-UHFFFAOYSA-M InChI InChI=1S/C21H21N2S2.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1 SMILES CCN1C(=CC=CC2=[N+](CC)C3=C(C=CC=C3)S2)SC2=CC=CC=C21.[I-] MNX internals InChI (mnx) InChI=1/C21H21N2S2.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1; SMILES (mnx) [CH3:1][CH2:3][N+:22]1=[C:20]([CH:14]=[CH:9][CH:15]=[C:21]2[N:23]([CH2:4][CH3:2])[C:17]3=[CH:11][CH:6]=[CH:8][CH:13]=[C:19]3[S:25]2)[S:24][C:18]2=[CH:12][CH:7]=[CH:5][CH:10]=[C:16]21.[IH:26]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0