1-[5-chloranyl-2-oxidanyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]ethanone

Systemtic Name: 1-[5-chloranyl-2-oxidanyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]ethanone Openeye Name: 1-[5-chloro-2-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]ethanone CAS Name: 1-[5-chloro-2-hydroxy-3-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]ethanone IUPAC Name: 1-[5-chloro-2-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]ethanone Traditional Name: 1-[5-chloro-2-hydroxy-3-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]ethanone Formula: C11H10ClN3O2S MolecularWeight: 283.734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC(=C1O)CSC2=NC=NN2)Cl

Isomeric SMILES

CC(=O)C1=CC(=CC(=C1O)CSC2=NC=NN2)Cl

InChI

InChI=1S/C11H10ClN3O2S/c1-6(16)9-3-8(12)2-7(10(9)17)4-18-11-13-5-14-15-11/h2-3,5,17H,4H2,1H3,(H,13,14,15)