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

Systemtic Name: 3-[[5-(3-cyanophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid Openeye Name: 3-[[5-(3-cyanophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid CAS Name: 3-[[5-(3-cyanophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid IUPAC Name: 3-[[5-(3-cyanophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid Traditional Name: 3-[[5-(3-cyanophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid Formula: C17H12N4O2S MolecularWeight: 336.36778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N4O2S/c1-21-17(19-14-7-3-6-13(9-14)16(22)23)24-15(20-21)12-5-2-4-11(8-12)10-18/h2-9H,1H3,(H,22,23)