1-(2,5-dimethylphenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,5-dimethylphenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-dimethylphenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2,5-dimethylphenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,5-dimethylphenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,5-dimethylphenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C14H17N3OS MolecularWeight: 275.36928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NN=C(N2C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NN=C(N2C)C

InChI

InChI=1S/C14H17N3OS/c1-9-5-6-10(2)12(7-9)13(18)8-19-14-16-15-11(3)17(14)4/h5-7H,8H2,1-4H3