1-(4-methyl-2-oxidanyl-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-methyl-2-oxidanyl-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2-hydroxy-4-methyl-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2-hydroxy-4-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2-hydroxy-4-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2-hydroxy-4-methyl-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CSC2=NN=CN2C)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CSC2=NN=CN2C)O

InChI

InChI=1S/C12H13N3O2S/c1-8-3-4-9(10(16)5-8)11(17)6-18-12-14-13-7-15(12)2/h3-5,7,16H,6H2,1-2H3