5-[3-azanyl-5-oxidanylidene-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid

Systemtic Name: 5-[3-azanyl-5-oxidanylidene-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid Openeye Name: 5-[3-amino-5-oxo-4-(1-phenyltetrazol-5-yl)sulfanyl-4H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid CAS Name: 5-[3-amino-5-oxo-4-[(1-phenyl-5-tetrazolyl)thio]-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid IUPAC Name: 5-[3-amino-5-oxo-4-(1-phenyltetrazol-5-yl)sulfanyl-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid Traditional Name: 5-[3-amino-5-keto-4-[(1-phenyltetrazol-5-yl)thio]-2-pyrazolin-1-yl]-2-phenoxy-besylic acid Formula: C22H17N7O5S2 MolecularWeight: 523.54428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SC3C(=NN(C3=O)C4=CC(=C(C=C4)OC5=CC=CC=C5)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SC3C(=NN(C3=O)C4=CC(=C(C=C4)OC5=CC=CC=C5)S(=O)(=O)O)N

InChI

InChI=1S/C22H17N7O5S2/c23-20-19(35-22-24-26-27-29(22)14-7-3-1-4-8-14)21(30)28(25-20)15-11-12-17(18(13-15)36(31,32)33)34-16-9-5-2-6-10-16/h1-13,19H,(H2,23,25)(H,31,32,33)