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

Systemtic Name: methyl 3-[2-(1-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-3-yl)phenyl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[2-(1-methyl-4-phenyl-5-thioxo-1,2,4-triazol-3-yl)phenyl]-3-oxo-propanoate CAS Name: 3-[2-(1-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-3-yl)phenyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[2-(1-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-3-yl)phenyl]-3-oxopropanoate Traditional Name: 3-keto-3-[2-(1-methyl-4-phenyl-5-thioxo-1,2,4-triazol-3-yl)phenyl]propionic acid methyl ester Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)N(C(=N1)C2=CC=CC=C2C(=O)CC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CN1C(=S)N(C(=N1)C2=CC=CC=C2C(=O)CC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C19H17N3O3S/c1-21-19(26)22(13-8-4-3-5-9-13)18(20-21)15-11-7-6-10-14(15)16(23)12-17(24)25-2/h3-11H,12H2,1-2H3