4-[3-(furan-2-yl)-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-4-yl]benzoic acid

Systemtic Name: 4-[3-(furan-2-yl)-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 4-[3-(2-anilino-2-oxo-ethyl)sulfanyl-5-(2-furyl)-1,2,4-triazol-4-yl]benzoic acid CAS Name: 4-[3-[(2-anilino-2-oxoethyl)thio]-5-(2-furanyl)-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 4-[3-(2-anilino-2-oxoethyl)sulfanyl-5-(furan-2-yl)-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 4-[3-[(2-anilino-2-keto-ethyl)thio]-5-(2-furyl)-1,2,4-triazol-4-yl]benzoic acid Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C(=O)O)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C(=O)O)C4=CC=CO4

InChI

InChI=1S/C21H16N4O4S/c26-18(22-15-5-2-1-3-6-15)13-30-21-24-23-19(17-7-4-12-29-17)25(21)16-10-8-14(9-11-16)20(27)28/h1-12H,13H2,(H,22,26)(H,27,28)