5-methylsulfanyl-4-[1-(pyridin-2-ylmethyl)benzimidazol-5-yl]sulfonyl-thiophene-2-carboximidamide

Systemtic Name: 5-methylsulfanyl-4-[1-(pyridin-2-ylmethyl)benzimidazol-5-yl]sulfonyl-thiophene-2-carboximidamide Openeye Name: 5-methylsulfanyl-4-[1-(2-pyridylmethyl)benzimidazol-5-yl]sulfonyl-thiophene-2-carboxamidine CAS Name: 5-(methylthio)-4-[[1-(2-pyridinylmethyl)-5-benzimidazolyl]sulfonyl]-2-thiophenecarboximidamide IUPAC Name: 5-methylsulfanyl-4-[1-(pyridin-2-ylmethyl)benzimidazol-5-yl]sulfonylthiophene-2-carboximidamide Traditional Name: 5-(methylthio)-4-[1-(2-pyridylmethyl)benzimidazol-5-yl]sulfonyl-thiophene-2-carboxamidine Formula: C19H17N5O2S3 MolecularWeight: 443.56558

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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(C=N3)CC4=CC=CC=N4

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC3=C(C=C2)N(C=N3)CC4=CC=CC=N4

InChI

InChI=1S/C19H17N5O2S3/c1-27-19-17(9-16(28-19)18(20)21)29(25,26)13-5-6-15-14(8-13)23-11-24(15)10-12-4-2-3-7-22-12/h2-9,11H,10H2,1H3,(H3,20,21)