1-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanone

Systemtic Name: 1-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanone Openeye Name: 1-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanone CAS Name: 1-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]ethanone IUPAC Name: 1-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanone Traditional Name: 1-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]ethanone Formula: C10H9N3OS MolecularWeight: 219.26296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)SC2=NC=NN2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)SC2=NC=NN2

InChI

InChI=1S/C10H9N3OS/c1-7(14)8-2-4-9(5-3-8)15-10-11-6-12-13-10/h2-6H,1H3,(H,11,12,13)