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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 1-(1-piperidyl)-2-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 1-piperidino-2-[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCCC3)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCCC3)N4CCCCC4

InChI

InChI=1S/C21H29N5OS/c1-17-8-10-18(11-9-17)26-20(25-14-6-3-7-15-25)22-23-21(26)28-16-19(27)24-12-4-2-5-13-24/h8-11H,2-7,12-16H2,1H3