2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(2-methoxyphenyl)ethanamide

Systemtic Name: 2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(2-methoxyphenyl)ethanamide Openeye Name: 2-(1-amino-4-phenyl-imidazol-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide CAS Name: 2-[(1-amino-4-phenyl-2-imidazolyl)thio]-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide IUPAC Name: 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide Traditional Name: 2-[(1-amino-4-phenyl-imidazol-2-yl)thio]-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC(=CN2N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC(=CN2N)C3=CC=CC=C3

InChI

InChI=1S/C21H21N5O2S/c1-28-19-11-6-5-10-18(19)25(13-7-12-22)20(27)15-29-21-24-17(14-26(21)23)16-8-3-2-4-9-16/h2-6,8-11,14H,7,13,15,23H2,1H3