4-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]benzoic acid

Systemtic Name: 4-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]benzoic acid Openeye Name: 4-[5-(2-anilino-2-oxo-ethyl)sulfanyltetrazol-1-yl]benzoic acid CAS Name: 4-[5-[(2-anilino-2-oxoethyl)thio]-1-tetrazolyl]benzoic acid IUPAC Name: 4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzoic acid Traditional Name: 4-[5-[(2-anilino-2-keto-ethyl)thio]tetrazol-1-yl]benzoic acid Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H13N5O3S/c22-14(17-12-4-2-1-3-5-12)10-25-16-18-19-20-21(16)13-8-6-11(7-9-13)15(23)24/h1-9H,10H2,(H,17,22)(H,23,24)