N-(2-cyanoethyl)-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-2-[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H24N6OS MolecularWeight: 384.49846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCC#N)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCC#N)N3CCCCC3

InChI

InChI=1S/C19H24N6OS/c1-15-6-8-16(9-7-15)25-18(24-12-3-2-4-13-24)22-23-19(25)27-14-17(26)21-11-5-10-20/h6-9H,2-5,11-14H2,1H3,(H,21,26)