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

Systemtic Name: N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[(2,6-dimethyl-4-pyrimidinyl)thio]acetamide IUPAC Name: N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[(2,6-dimethylpyrimidin-4-yl)thio]acetamide Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC(=O)NC2=C(C3=C(N2C4=CC=CC=C4)CCCC3)C#N

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC(=O)NC2=C(C3=C(N2C4=CC=CC=C4)CCCC3)C#N

InChI

InChI=1S/C23H23N5OS/c1-15-12-22(26-16(2)25-15)30-14-21(29)27-23-19(13-24)18-10-6-7-11-20(18)28(23)17-8-4-3-5-9-17/h3-5,8-9,12H,6-7,10-11,14H2,1-2H3,(H,27,29)