2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethanoylphenyl)ethanamide

Systemtic Name: 2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[[4-cyclopropyl-5-(4-methyl-1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[[4-cyclopropyl-5-(4-methyl-1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[[4-cyclopropyl-5-(4-methylpiperidino)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)NC4=CC=CC(=C4)C(=O)C

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)NC4=CC=CC(=C4)C(=O)C

InChI

InChI=1S/C21H27N5O2S/c1-14-8-10-25(11-9-14)20-23-24-21(26(20)18-6-7-18)29-13-19(28)22-17-5-3-4-16(12-17)15(2)27/h3-5,12,14,18H,6-11,13H2,1-2H3,(H,22,28)