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

Systemtic Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethanoylphenyl)propanamide Openeye Name: N-(2-acetylphenyl)-2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-acetylphenyl)-2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-acetylphenyl)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-acetylphenyl)-2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)SC2=NN=C(N2C3CC3)N4CCCCC4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)C)SC2=NN=C(N2C3CC3)N4CCCCC4

InChI

InChI=1S/C21H27N5O2S/c1-14(27)17-8-4-5-9-18(17)22-19(28)15(2)29-21-24-23-20(26(21)16-10-11-16)25-12-6-3-7-13-25/h4-5,8-9,15-16H,3,6-7,10-13H2,1-2H3,(H,22,28)