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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C)C2=CC=CC=C2C(=O)CC(=O)OC

Isomeric SMILES

CN1C(=NN(C1=S)C)C2=CC=CC=C2C(=O)CC(=O)OC

InChI

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