N-butyl-2-(3-cyanopyridin-2-yl)sulfanyl-3H-benzimidazole-5-sulfonamide

Systemtic Name: N-butyl-2-(3-cyanopyridin-2-yl)sulfanyl-3H-benzimidazole-5-sulfonamide Openeye Name: N-butyl-2-[(3-cyano-2-pyridyl)sulfanyl]-3H-benzimidazole-5-sulfonamide CAS Name: N-butyl-2-[(3-cyano-2-pyridinyl)thio]-3H-benzimidazole-5-sulfonamide IUPAC Name: N-butyl-2-(3-cyanopyridin-2-yl)sulfanyl-3H-benzimidazole-5-sulfonamide Traditional Name: N-butyl-2-[(3-cyano-2-pyridyl)thio]-3H-benzimidazole-5-sulfonamide Formula: C17H17N5O2S2 MolecularWeight: 387.47918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SC3=C(C=CC=N3)C#N

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SC3=C(C=CC=N3)C#N

InChI

InChI=1S/C17H17N5O2S2/c1-2-3-9-20-26(23,24)13-6-7-14-15(10-13)22-17(21-14)25-16-12(11-18)5-4-8-19-16/h4-8,10,20H,2-3,9H2,1H3,(H,21,22)