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

Systemtic Name: 1-phenyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-phenyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-phenyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-phenyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-phenyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C16H13N3OS MolecularWeight: 295.35892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H13N3OS/c20-14(12-7-3-1-4-8-12)11-21-16-17-15(18-19-16)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,18,19)