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

Systemtic Name: 5-methylsulfanyl-4-[3-(phenylmethyl)benzimidazol-5-yl]sulfonyl-thiophene-2-carboximidamide Openeye Name: 4-(3-benzylbenzimidazol-5-yl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 5-(methylthio)-4-[[3-(phenylmethyl)-5-benzimidazolyl]sulfonyl]-2-thiophenecarboximidamide IUPAC Name: 4-(3-benzylbenzimidazol-5-yl)sulfonyl-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-(3-benzylbenzimidazol-5-yl)sulfonyl-5-(methylthio)thiophene-2-carboxamidine Formula: C20H18N4O2S3 MolecularWeight: 442.57752

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC3=C(C=C2)N=CN3CC4=CC=CC=C4

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC3=C(C=C2)N=CN3CC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O2S3/c1-27-20-18(10-17(28-20)19(21)22)29(25,26)14-7-8-15-16(9-14)24(12-23-15)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H3,21,22)