4-[7-bromanyl-3-(phenylmethyl)benzimidazol-5-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide

Systemtic Name: 4-[7-bromanyl-3-(phenylmethyl)benzimidazol-5-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide Openeye Name: 4-(3-benzyl-7-bromo-benzimidazol-5-yl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 4-[[7-bromo-3-(phenylmethyl)-5-benzimidazolyl]sulfonyl]-5-(methylthio)-2-thiophenecarboximidamide IUPAC Name: 4-(3-benzyl-7-bromobenzimidazol-5-yl)sulfonyl-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-(3-benzyl-7-bromo-benzimidazol-5-yl)sulfonyl-5-(methylthio)thiophene-2-carboxamidine Formula: C20H17BrN4O2S3 MolecularWeight: 521.47358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC(=C3C(=C2)N(C=N3)CC4=CC=CC=C4)Br

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC(=C3C(=C2)N(C=N3)CC4=CC=CC=C4)Br

InChI

InChI=1S/C20H17BrN4O2S3/c1-28-20-17(9-16(29-20)19(22)23)30(26,27)13-7-14(21)18-15(8-13)25(11-24-18)10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H3,22,23)