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

Systemtic Name: 1-[3-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-(5-benzylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)propan-1-one CAS Name: 1-[3-phenyl-5-(phenylmethylthio)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-(5-benzylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)propan-1-one Traditional Name: 1-[5-(benzylthio)-3-phenyl-1,2,4-triazol-1-yl]propan-1-one Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3OS/c1-2-16(22)21-18(23-13-14-9-5-3-6-10-14)19-17(20-21)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3