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

Systemtic Name: 4-(4-chlorophenyl)-2-[[(phenylmethyl)-propan-2-yl-amino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[benzyl(isopropyl)amino]methyl]-4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-chlorophenyl)-2-[[(phenylmethyl)-propan-2-ylamino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[benzyl(propan-2-yl)amino]methyl]-4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[benzyl(isopropyl)amino]methyl]-4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C24H24ClN5S MolecularWeight: 449.99886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H24ClN5S/c1-18(2)28(16-19-6-4-3-5-7-19)17-29-24(31)30(22-10-8-21(25)9-11-22)23(27-29)20-12-14-26-15-13-20/h3-15,18H,16-17H2,1-2H3