1-[5-chloranyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanyl-phenyl]ethanone

Systemtic Name: 1-[5-chloranyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanyl-phenyl]ethanone Openeye Name: 1-[5-chloro-2-hydroxy-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone CAS Name: 1-[5-chloro-2-hydroxy-3-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[5-chloro-2-hydroxy-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[5-chloro-2-hydroxy-3-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]ethanone Formula: C12H12ClN3O2S MolecularWeight: 297.76058

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC(=C1O)CSC2=NN=CN2C)Cl

Isomeric SMILES

CC(=O)C1=CC(=CC(=C1O)CSC2=NN=CN2C)Cl

InChI

InChI=1S/C12H12ClN3O2S/c1-7(17)10-4-9(13)3-8(11(10)18)5-19-12-15-14-6-16(12)2/h3-4,6,18H,5H2,1-2H3