ethyl 3-(4-phenyl-3-phenylazanyl-5-sulfanylidene-1,2,4-triazol-1-yl)propanoate

Systemtic Name: ethyl 3-(4-phenyl-3-phenylazanyl-5-sulfanylidene-1,2,4-triazol-1-yl)propanoate Openeye Name: ethyl 3-(3-anilino-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)propanoate CAS Name: 3-(3-anilino-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(3-anilino-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)propanoate Traditional Name: 3-(3-anilino-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)propionic acid ethyl ester Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C(=S)N(C(=N1)NC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCN1C(=S)N(C(=N1)NC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O2S/c1-2-25-17(24)13-14-22-19(26)23(16-11-7-4-8-12-16)18(21-22)20-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3,(H,20,21)