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

Systemtic Name: 2-[(4-methylpiperidin-1-yl)methyl]-4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-(2-isopropylphenyl)-2-[(4-methyl-1-piperidyl)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-methyl-1-piperidinyl)methyl]-4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-methylpiperidin-1-yl)methyl]-4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-methylpiperidino)methyl]-4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C23H29N5S MolecularWeight: 407.57486

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4C(C)C

Isomeric SMILES

CC1CCN(CC1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4C(C)C

InChI

InChI=1S/C23H29N5S/c1-17(2)20-8-4-5-9-21(20)28-22(19-7-6-12-24-15-19)25-27(23(28)29)16-26-13-10-18(3)11-14-26/h4-9,12,15,17-18H,10-11,13-14,16H2,1-3H3