2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-oxidanylidene-1-phenyl-butan-2-yl)ethanamide

Systemtic Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-oxidanylidene-1-phenyl-butan-2-yl)ethanamide Openeye Name: N-(1-benzyl-2-oxo-propyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(3-oxo-1-phenylbutan-2-yl)acetamide IUPAC Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide Traditional Name: N-(1-benzyl-2-keto-propyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)NC(CC3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)NC(CC3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C21H28N4O2S/c1-15(26)19(13-17-9-5-3-6-10-17)22-20(27)14-28-21-24-23-16(2)25(21)18-11-7-4-8-12-18/h3,5-6,9-10,18-19H,4,7-8,11-14H2,1-2H3,(H,22,27)