N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=C(C3=C(N2C4=CC=CC=C4)CCCC3)C#N

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=C(C3=C(N2C4=CC=CC=C4)CCCC3)C#N

InChI

InChI=1S/C21H21N5OS/c1-25-12-11-23-21(25)28-14-19(27)24-20-17(13-22)16-9-5-6-10-18(16)26(20)15-7-3-2-4-8-15/h2-4,7-8,11-12H,5-6,9-10,14H2,1H3,(H,24,27)