1-(5-methylsulfanyl-1,2,4-triazol-1-yl)-4-phenyl-butan-2-one

Systemtic Name: 1-(5-methylsulfanyl-1,2,4-triazol-1-yl)-4-phenyl-butan-2-one Openeye Name: 1-(5-methylsulfanyl-1,2,4-triazol-1-yl)-4-phenyl-butan-2-one CAS Name: 1-[5-(methylthio)-1,2,4-triazol-1-yl]-4-phenyl-2-butanone IUPAC Name: 1-(5-methylsulfanyl-1,2,4-triazol-1-yl)-4-phenylbutan-2-one Traditional Name: 1-[5-(methylthio)-1,2,4-triazol-1-yl]-4-phenyl-butan-2-one Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NN1CC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CSC1=NC=NN1CC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C13H15N3OS/c1-18-13-14-10-15-16(13)9-12(17)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3