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

Systemtic Name: 1-(4-methoxyphenyl)-2-(5-methyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)ethanone Openeye Name: 1-(4-methoxyphenyl)-2-(5-methyl-3-thioxo-1H-1,2,4-triazol-2-yl)ethanone CAS Name: 1-(4-methoxyphenyl)-2-(5-methyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)ethanone IUPAC Name: 1-(4-methoxyphenyl)-2-(5-methyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)ethanone Traditional Name: 1-(4-methoxyphenyl)-2-(5-methyl-3-thioxo-1H-1,2,4-triazol-2-yl)ethanone Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=S)N(N1)CC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=NC(=S)N(N1)CC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C12H13N3O2S/c1-8-13-12(18)15(14-8)7-11(16)9-3-5-10(17-2)6-4-9/h3-6H,7H2,1-2H3,(H,13,14,18)