[2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-(phenylmethyl)piperidin-1-yl]methanone

Systemtic Name: [2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-[2-[[4-(p-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazol-4-yl]methanone CAS Name: [2-[[[4-(4-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolyl]-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-[2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methanone Traditional Name: (4-benzylpiperidino)-[2-[[[4-(p-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]thiazol-4-yl]methanone Formula: C31H30N6OS2 MolecularWeight: 566.7395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=CS3)C(=O)N4CCC(CC4)CC5=CC=CC=C5)C6=CN=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=CS3)C(=O)N4CCC(CC4)CC5=CC=CC=C5)C6=CN=CC=C6

InChI

InChI=1S/C31H30N6OS2/c1-22-9-11-26(12-10-22)37-29(25-8-5-15-32-19-25)34-35-31(37)40-21-28-33-27(20-39-28)30(38)36-16-13-24(14-17-36)18-23-6-3-2-4-7-23/h2-12,15,19-20,24H,13-14,16-18,21H2,1H3