4-[2-azanylidene-5-(phenylcarbonyl)-1,3,4-thiadiazol-3-yl]benzoic acid

Systemtic Name: 4-[2-azanylidene-5-(phenylcarbonyl)-1,3,4-thiadiazol-3-yl]benzoic acid Openeye Name: 4-(5-benzoyl-2-imino-1,3,4-thiadiazol-3-yl)benzoic acid CAS Name: 4-(5-benzoyl-2-imino-1,3,4-thiadiazol-3-yl)benzoic acid IUPAC Name: 4-(5-benzoyl-2-imino-1,3,4-thiadiazol-3-yl)benzoic acid Traditional Name: 4-(5-benzoyl-2-imino-1,3,4-thiadiazol-3-yl)benzoic acid Formula: C16H11N3O3S MolecularWeight: 325.34184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=NN(C(=N)S2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=NN(C(=N)S2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H11N3O3S/c17-16-19(12-8-6-11(7-9-12)15(21)22)18-14(23-16)13(20)10-4-2-1-3-5-10/h1-9,17H,(H,21,22)