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

Systemtic Name: 3-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 3-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C14H17N3OS MolecularWeight: 275.36928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SC(C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SC(C)C(=O)C

InChI

InChI=1S/C14H17N3OS/c1-9-5-7-12(8-6-9)13-15-16-14(17(13)4)19-11(3)10(2)18/h5-8,11H,1-4H3