4-(2,4-dimethylphenyl)-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-(2,4-dimethylphenyl)-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-(2,4-dimethylphenyl)-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(2,4-dimethylphenyl)-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(2,4-dimethylphenyl)-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-(2,4-dimethylphenyl)-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C27H27N5S MolecularWeight: 453.60178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN(C2=S)CN3CCC(=CC3)C4=CC=CC=C4)C5=CN=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN(C2=S)CN3CCC(=CC3)C4=CC=CC=C4)C5=CN=CC=C5)C

InChI

InChI=1S/C27H27N5S/c1-20-10-11-25(21(2)17-20)32-26(24-9-6-14-28-18-24)29-31(27(32)33)19-30-15-12-23(13-16-30)22-7-4-3-5-8-22/h3-12,14,17-18H,13,15-16,19H2,1-2H3