2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-phenyl-benzimidazole-5-carboxamide

Systemtic Name: 2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-phenyl-benzimidazole-5-carboxamide Openeye Name: 2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-phenyl-benzimidazole-5-carboxamide CAS Name: 2-methyl-N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-1-phenyl-5-benzimidazolecarboxamide IUPAC Name: 2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-phenylbenzimidazole-5-carboxamide Traditional Name: 2-methyl-N-[2-[(1-methylimidazol-2-yl)thio]ethyl]-1-phenyl-benzimidazole-5-carboxamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)NCCSC4=NC=CN4C

Isomeric SMILES

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)NCCSC4=NC=CN4C

InChI

InChI=1S/C21H21N5OS/c1-15-24-18-14-16(8-9-19(18)26(15)17-6-4-3-5-7-17)20(27)22-11-13-28-21-23-10-12-25(21)2/h3-10,12,14H,11,13H2,1-2H3,(H,22,27)