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

Systemtic Name: 1-[3-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-(5-benzylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)butan-1-one CAS Name: 1-[3-phenyl-5-(phenylmethylthio)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-(5-benzylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)butan-1-one Traditional Name: 1-[5-(benzylthio)-3-phenyl-1,2,4-triazol-1-yl]butan-1-one Formula: C19H19N3OS MolecularWeight: 337.43866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3OS/c1-2-9-17(23)22-19(24-14-15-10-5-3-6-11-15)20-18(21-22)16-12-7-4-8-13-16/h3-8,10-13H,2,9,14H2,1H3