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

Systemtic Name: 3,3-dimethyl-1-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)C(C)(C)C

InChI

InChI=1S/C16H21N3OS/c1-11-8-6-7-9-12(11)14-17-18-15(19(14)5)21-10-13(20)16(2,3)4/h6-9H,10H2,1-5H3