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

Systemtic Name: 2-[[(3S)-3-methylpiperidin-1-yl]methyl]-4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-[[(3S)-3-methyl-1-piperidyl]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(3S)-3-methyl-1-piperidinyl]methyl]-4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-[[(3S)-3-methylpiperidino]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:

CC1CCCN(C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCN(C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N5S/c1-17-6-5-13-24(14-17)16-26-21(27)25(15-18-7-3-2-4-8-18)20(23-26)19-9-11-22-12-10-19/h2-4,7-12,17H,5-6,13-16H2,1H3/t17-/m0/s1