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

Systemtic Name: methyl 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoate Openeye Name: methyl 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoate CAS Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoate Traditional Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionic acid methyl ester Formula: C13H15N3O3S MolecularWeight: 293.3415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)OC

InChI

InChI=1S/C13H15N3O3S/c1-18-10-5-3-9(4-6-10)12-14-15-13(20)16(12)8-7-11(17)19-2/h3-6H,7-8H2,1-2H3,(H,15,20)