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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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