2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone

Systemtic Name: 2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone Openeye Name: 2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(p-tolyl)ethanone CAS Name: 2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone Traditional Name: 2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(p-tolyl)ethanone Formula: C14H17N3OS MolecularWeight: 275.36928

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C14H17N3OS/c1-4-17-11(3)15-16-14(17)19-9-13(18)12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3