4-cyclopropyl-2-[[4-(phenylmethyl)piperidin-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclopropyl-2-[[4-(phenylmethyl)piperidin-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzyl-1-piperidyl)methyl]-4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-(phenylmethyl)-1-piperidinyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylpiperidin-1-yl)methyl]-4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylpiperidino)methyl]-4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C23H27N5S MolecularWeight: 405.55898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)CN3CCC(CC3)CC4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)CN3CCC(CC3)CC4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C23H27N5S/c29-23-27(25-22(28(23)21-6-7-21)20-8-12-24-13-9-20)17-26-14-10-19(11-15-26)16-18-4-2-1-3-5-18/h1-5,8-9,12-13,19,21H,6-7,10-11,14-17H2