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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4C(C)C

Isomeric SMILES

C[C@H]1CCCN(C1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4C(C)C

InChI

InChI=1S/C23H29N5S/c1-17(2)20-10-4-5-11-21(20)28-22(19-9-6-12-24-14-19)25-27(23(28)29)16-26-13-7-8-18(3)15-26/h4-6,9-12,14,17-18H,7-8,13,15-16H2,1-3H3/t18-/m0/s1