2-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methylsulfanyl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methylsulfanyl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methylsulfanyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methylthio]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methylsulfanyl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[(2,2,5,5-tetramethyl-3-pyrrolin-3-yl)methylthio]-1H-benzimidazole-4-carboxamide Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C(N1)(C)C)CSC2=NC3=C(C=CC=C3N2)C(=O)N)C

Isomeric SMILES

CC1(C=C(C(N1)(C)C)CSC2=NC3=C(C=CC=C3N2)C(=O)N)C

InChI

InChI=1S/C17H22N4OS/c1-16(2)8-10(17(3,4)21-16)9-23-15-19-12-7-5-6-11(14(18)22)13(12)20-15/h5-8,21H,9H2,1-4H3,(H2,18,22)(H,19,20)