1-(4-ethanoyl-5-methylsulfanyl-3-phenyl-3H-1,2,4-triazol-2-yl)propan-1-one

Systemtic Name: 1-(4-ethanoyl-5-methylsulfanyl-3-phenyl-3H-1,2,4-triazol-2-yl)propan-1-one Openeye Name: 1-(4-acetyl-5-methylsulfanyl-3-phenyl-3H-1,2,4-triazol-2-yl)propan-1-one CAS Name: 1-[4-acetyl-5-(methylthio)-3-phenyl-3H-1,2,4-triazol-2-yl]-1-propanone IUPAC Name: 1-(4-acetyl-5-methylsulfanyl-3-phenyl-3H-1,2,4-triazol-2-yl)propan-1-one Traditional Name: 1-[4-acetyl-5-(methylthio)-3-phenyl-3H-1,2,4-triazol-2-yl]propan-1-one Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(N(C(=N1)SC)C(=O)C)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)N1C(N(C(=N1)SC)C(=O)C)C2=CC=CC=C2

InChI

InChI=1S/C14H17N3O2S/c1-4-12(19)17-13(11-8-6-5-7-9-11)16(10(2)18)14(15-17)20-3/h5-9,13H,4H2,1-3H3