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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 1-(1-piperidyl)-2-[[4-(p-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[4-(4-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 1-piperidino-2-[[4-(p-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCCC3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCCC3)C4=CN=CC=C4

InChI

InChI=1S/C21H23N5OS/c1-16-7-9-18(10-8-16)26-20(17-6-5-11-22-14-17)23-24-21(26)28-15-19(27)25-12-3-2-4-13-25/h5-11,14H,2-4,12-13,15H2,1H3