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

Systemtic Name: 3,3-dimethyl-1-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)C(C)(C)C)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)C(C)(C)C)C3=CN=CC=C3

InChI

InChI=1S/C20H22N4OS/c1-14-8-5-6-10-16(14)24-18(15-9-7-11-21-12-15)22-23-19(24)26-13-17(25)20(2,3)4/h5-12H,13H2,1-4H3