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

Systemtic Name: 1-[3-(4-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone Openeye Name: 1-[3-(4-methoxyphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]ethanone CAS Name: 1-[3-(4-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-[3-(4-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone Traditional Name: 1-[3-(4-methoxyphenyl)-4-methyl-5-thioxo-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(=S)N(C(=N1)C2=CC=C(C=C2)OC)C

Isomeric SMILES

CC(=O)N1C(=S)N(C(=N1)C2=CC=C(C=C2)OC)C

InChI

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