3-[[5-(4-aminocarbonylphenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid

Systemtic Name: 3-[[5-(4-aminocarbonylphenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid Openeye Name: 3-[[5-(4-carbamoylphenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid CAS Name: 3-[[5-(4-carbamoylphenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid IUPAC Name: 3-[[5-(4-carbamoylphenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid Traditional Name: 3-[[5-(4-carbamoylphenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid Formula: C17H14N4O3S MolecularWeight: 354.38306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC(=C2)C(=O)O)SC(=N1)C3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CN1C(=NC2=CC=CC(=C2)C(=O)O)SC(=N1)C3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C17H14N4O3S/c1-21-17(19-13-4-2-3-12(9-13)16(23)24)25-15(20-21)11-7-5-10(6-8-11)14(18)22/h2-9H,1H3,(H2,18,22)(H,23,24)