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

Systemtic Name: 1-(5-methylsulfanyl-3-phenyl-1,3-dihydro-1,2,4-triazol-2-yl)propan-1-one Openeye Name: 1-(5-methylsulfanyl-3-phenyl-1,3-dihydro-1,2,4-triazol-2-yl)propan-1-one CAS Name: 1-[5-(methylthio)-3-phenyl-1,3-dihydro-1,2,4-triazol-2-yl]-1-propanone IUPAC Name: 1-(5-methylsulfanyl-3-phenyl-1,3-dihydro-1,2,4-triazol-2-yl)propan-1-one Traditional Name: 1-[5-(methylthio)-3-phenyl-1,3-dihydro-1,2,4-triazol-2-yl]propan-1-one Formula: C12H15N3OS MolecularWeight: 249.332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3OS/c1-3-10(16)15-11(13-12(14-15)17-2)9-7-5-4-6-8-9/h4-8,11H,3H2,1-2H3,(H,13,14)