[[4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]amino] 4-methylbenzenesulfinate

Systemtic Name: [[4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]amino] 4-methylbenzenesulfinate Openeye Name: [[4-(1H-benzimidazol-2-ylsulfanylmethyl)thiazol-2-yl]amino] 4-methylbenzenesulfinate CAS Name: 4-methylbenzenesulfinic acid [[4-[(1H-benzimidazol-2-ylthio)methyl]-2-thiazolyl]amino] ester IUPAC Name: [[4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]amino] 4-methylbenzenesulfinate Traditional Name: 4-methylbenzenesulfinic acid [[4-[(1H-benzimidazol-2-ylthio)methyl]thiazol-2-yl]amino] ester Formula: C18H16N4O2S3 MolecularWeight: 416.54024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)ONC2=NC(=CS2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)ONC2=NC(=CS2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H16N4O2S3/c1-12-6-8-14(9-7-12)27(23)24-22-18-19-13(11-26-18)10-25-17-20-15-4-2-3-5-16(15)21-17/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21)