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

Systemtic Name: 1-[3-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]ethanone Openeye Name: 1-(5-benzylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)ethanone CAS Name: 1-[3-phenyl-5-(phenylmethylthio)-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-(5-benzylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)ethanone Traditional Name: 1-[5-(benzylthio)-3-phenyl-1,2,4-triazol-1-yl]ethanone Formula: C17H15N3OS MolecularWeight: 309.3855

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=NC(=N1)C2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1C(=NC(=N1)C2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C17H15N3OS/c1-13(21)20-17(22-12-14-8-4-2-5-9-14)18-16(19-20)15-10-6-3-7-11-15/h2-11H,12H2,1H3