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

Systemtic Name: ethyl 3-[2-(2-methyl-3-sulfanylidene-1H-1,2,4-triazol-5-yl)phenyl]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[2-(2-methyl-3-thioxo-1H-1,2,4-triazol-5-yl)phenyl]-3-oxo-propanoate CAS Name: 3-[2-(2-methyl-3-sulfanylidene-1H-1,2,4-triazol-5-yl)phenyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2-methyl-3-sulfanylidene-1H-1,2,4-triazol-5-yl)phenyl]-3-oxopropanoate Traditional Name: 3-keto-3-[2-(2-methyl-3-thioxo-1H-1,2,4-triazol-5-yl)phenyl]propionic acid ethyl ester Formula: C14H15N3O3S MolecularWeight: 305.3522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C1=CC=CC=C1C2=NC(=S)N(N2)C

Isomeric SMILES

CCOC(=O)CC(=O)C1=CC=CC=C1C2=NC(=S)N(N2)C

InChI

InChI=1S/C14H15N3O3S/c1-3-20-12(19)8-11(18)9-6-4-5-7-10(9)13-15-14(21)17(2)16-13/h4-7H,3,8H2,1-2H3,(H,15,16,21)