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

Systemtic Name: 2-[(4-methylpiperidin-1-yl)methyl]-4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-[(4-methyl-1-piperidyl)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-methyl-1-piperidinyl)methyl]-4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-[(4-methylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-[(4-methylpiperidino)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C21H25N5S MolecularWeight: 379.5217

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC4=CC=CC=C4

InChI

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