1-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]ethanone Openeye Name: 1-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]ethanone CAS Name: 1-[3-(4-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]ethanone Traditional Name: 1-[3-(4-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-1-yl]ethanone Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)SC

Isomeric SMILES

CC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)SC

InChI

InChI=1S/C12H13N3O2S/c1-8(16)15-12(18-3)13-11(14-15)9-4-6-10(17-2)7-5-9/h4-7H,1-3H3