4-[3-(1,6-dimethylbenzimidazol-5-yl)phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide

Systemtic Name: 4-[3-(1,6-dimethylbenzimidazol-5-yl)phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide Openeye Name: 4-[3-(1,6-dimethylbenzimidazol-5-yl)phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 4-[3-(1,6-dimethyl-5-benzimidazolyl)phenyl]sulfonyl-5-(methylthio)-2-thiophenecarboximidamide IUPAC Name: 4-[3-(1,6-dimethylbenzimidazol-5-yl)phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-[3-(1,6-dimethylbenzimidazol-5-yl)phenyl]sulfonyl-5-(methylthio)thiophene-2-carboxamidine Formula: C21H20N4O2S3 MolecularWeight: 456.6041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C3=CC(=CC=C3)S(=O)(=O)C4=C(SC(=C4)C(=N)N)SC)N=CN2C

Isomeric SMILES

CC1=CC2=C(C=C1C3=CC(=CC=C3)S(=O)(=O)C4=C(SC(=C4)C(=N)N)SC)N=CN2C

InChI

InChI=1S/C21H20N4O2S3/c1-12-7-17-16(24-11-25(17)2)9-15(12)13-5-4-6-14(8-13)30(26,27)19-10-18(20(22)23)29-21(19)28-3/h4-11H,1-3H3,(H3,22,23)