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

Systemtic Name: 1-(2,5-dimethylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-dimethylphenyl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2,5-dimethylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,5-dimethylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,5-dimethylphenyl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C15H19N3OS MolecularWeight: 289.39586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NNC(=N2)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NNC(=N2)C(C)C

InChI

InChI=1S/C15H19N3OS/c1-9(2)14-16-15(18-17-14)20-8-13(19)12-7-10(3)5-6-11(12)4/h5-7,9H,8H2,1-4H3,(H,16,17,18)