1-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-2-one

Systemtic Name: 1-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-2-one Openeye Name: 1-[[4-(2,4-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-2-one CAS Name: 1-[[4-(2,4-dimethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-2-propanone IUPAC Name: 1-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-2-one Traditional Name: 1-[[4-(2,4-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-acetone Formula: C24H22N4OS MolecularWeight: 414.52268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=C2SC(C3=CC=CC=C3)C(=O)C)C4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=C2SC(C3=CC=CC=C3)C(=O)C)C4=CN=CC=C4)C

InChI

InChI=1S/C24H22N4OS/c1-16-11-12-21(17(2)14-16)28-23(20-10-7-13-25-15-20)26-27-24(28)30-22(18(3)29)19-8-5-4-6-9-19/h4-15,22H,1-3H3