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

Systemtic Name: 3-(4-phenyl-3-phenylazanyl-5-sulfanylidene-1,2,4-triazol-1-yl)propanoate Openeye Name: 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)propanoate IUPAC Name: 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)propionate Formula: C17H15N4O2S- MolecularWeight: 339.3916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NN(C(=S)N2C3=CC=CC=C3)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NN(C(=S)N2C3=CC=CC=C3)CCC(=O)[O-]

InChI

InChI=1S/C17H16N4O2S/c22-15(23)11-12-20-17(24)21(14-9-5-2-6-10-14)16(19-20)18-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,19)(H,22,23)/p-1