N-(2-cyanoethyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[1-(3-methoxyphenyl)imidazol-2-yl]thio]-N-phenyl-acetamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O2S/c1-27-19-10-5-9-18(15-19)25-14-12-23-21(25)28-16-20(26)24(13-6-11-22)17-7-3-2-4-8-17/h2-5,7-10,12,14-15H,6,13,16H2,1H3