1-(4-ethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-(4-ethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-(4-ethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-(4-ethylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-(4-ethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-(4-ethylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=NC=NN2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NC=NN2

InChI

InChI=1S/C12H13N3OS/c1-2-9-3-5-10(6-4-9)11(16)7-17-12-13-8-14-15-12/h3-6,8H,2,7H2,1H3,(H,13,14,15)