1-(2,5-dimethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one

Systemtic Name: 1-(2,5-dimethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one Openeye Name: 1-(2,5-dimethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one CAS Name: 1-(2,5-dimethylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)-1-propanone IUPAC Name: 1-(2,5-dimethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one Traditional Name: 1-(2,5-dimethylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)propan-1-one Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=NC=NN2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=NC=NN2

InChI

InChI=1S/C13H15N3OS/c1-8-4-5-9(2)11(6-8)12(17)10(3)18-13-14-7-15-16-13/h4-7,10H,1-3H3,(H,14,15,16)