1-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetone Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C

InChI

InChI=1S/C13H15N3OS/c1-3-10-4-6-11(7-5-10)12-14-13(16-15-12)18-8-9(2)17/h4-7H,3,8H2,1-2H3,(H,14,15,16)