1-oxidanyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]naphthalene-2-carboxylic acid

Systemtic Name: 1-oxidanyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]naphthalene-2-carboxylic acid Openeye Name: 1-hydroxy-4-(1-phenyltetrazol-5-yl)sulfanyl-naphthalene-2-carboxylic acid CAS Name: 1-hydroxy-4-[(1-phenyl-5-tetrazolyl)thio]-2-naphthalenecarboxylic acid IUPAC Name: 1-hydroxy-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxylic acid Traditional Name: 1-hydroxy-4-[(1-phenyltetrazol-5-yl)thio]-2-naphthoic acid Formula: C18H12N4O3S MolecularWeight: 364.37788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SC3=CC(=C(C4=CC=CC=C43)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SC3=CC(=C(C4=CC=CC=C43)O)C(=O)O

InChI

InChI=1S/C18H12N4O3S/c23-16-13-9-5-4-8-12(13)15(10-14(16)17(24)25)26-18-19-20-21-22(18)11-6-2-1-3-7-11/h1-10,23H,(H,24,25)