N-butyl-2-[(4-cyanophenyl)methylsulfanyl]-3H-benzimidazole-5-sulfonamide

Systemtic Name: N-butyl-2-[(4-cyanophenyl)methylsulfanyl]-3H-benzimidazole-5-sulfonamide Openeye Name: N-butyl-2-[(4-cyanophenyl)methylsulfanyl]-3H-benzimidazole-5-sulfonamide CAS Name: N-butyl-2-[(4-cyanophenyl)methylthio]-3H-benzimidazole-5-sulfonamide IUPAC Name: N-butyl-2-[(4-cyanophenyl)methylsulfanyl]-3H-benzimidazole-5-sulfonamide Traditional Name: N-butyl-2-[(4-cyanobenzyl)thio]-3H-benzimidazole-5-sulfonamide Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H20N4O2S2/c1-2-3-10-21-27(24,25)16-8-9-17-18(11-16)23-19(22-17)26-13-15-6-4-14(12-20)5-7-15/h4-9,11,21H,2-3,10,13H2,1H3,(H,22,23)