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

Systemtic Name: 4-methyl-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-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-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-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylpiperidino)methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H25N5S MolecularWeight: 379.5217

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCC(CC2)CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCC(CC2)CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C21H25N5S/c1-24-20(19-7-11-22-12-8-19)23-26(21(24)27)16-25-13-9-18(10-14-25)15-17-5-3-2-4-6-17/h2-8,11-12,18H,9-10,13-16H2,1H3