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

Systemtic Name: 3-[[3-methyl-5-(4-methylsulfonylphenyl)-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid Openeye Name: 3-[[3-methyl-5-(4-methylsulfonylphenyl)-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid CAS Name: 3-[[3-methyl-5-(4-methylsulfonylphenyl)-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid IUPAC Name: 3-[[3-methyl-5-(4-methylsulfonylphenyl)-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid Traditional Name: 3-[[5-(4-mesylphenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]benzoic acid Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S2/c1-20-17(18-13-5-3-4-12(10-13)16(21)22)25-15(19-20)11-6-8-14(9-7-11)26(2,23)24/h3-10H,1-2H3,(H,21,22)