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

Systemtic Name: 4-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[4-(2,4-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[4-(2,4-dimethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[4-(2,4-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=C2SCCC(=O)C)C3=CN=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=C2SCCC(=O)C)C3=CN=CC=C3)C

InChI

InChI=1S/C19H20N4OS/c1-13-6-7-17(14(2)11-13)23-18(16-5-4-9-20-12-16)21-22-19(23)25-10-8-15(3)24/h4-7,9,11-12H,8,10H2,1-3H3