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

Systemtic Name: 3-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid Openeye Name: 3-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid CAS Name: 3-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid IUPAC Name: 3-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid Traditional Name: 3-[[5-(4-chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid Formula: C16H12ClN3O2S MolecularWeight: 345.80338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O2S/c1-20-16(18-13-4-2-3-11(9-13)15(21)22)23-14(19-20)10-5-7-12(17)8-6-10/h2-9H,1H3,(H,21,22)