1-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one

Systemtic Name: 1-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Openeye Name: 1-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one CAS Name: 1-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-2-propanone IUPAC Name: 1-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Traditional Name: 1-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetone Formula: C11H11N3OS MolecularWeight: 233.28954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C11H11N3OS/c1-8(15)7-16-11-12-10(13-14-11)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,13,14)