3-(diphenylphosphinoselenoylamino)-5-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzoic acid

Systemtic Name: 3-(diphenylphosphinoselenoylamino)-5-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzoic acid Openeye Name: 3-(diphenylphosphinoselenoylamino)-5-(5-thioxo-2H-tetrazol-1-yl)benzoic acid CAS Name: 3-(diphenylphosphinoselenoylamino)-5-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic acid IUPAC Name: 3-(diphenylphosphinoselenoylamino)-5-(5-sulfanylidene-2H-tetrazol-1-yl)benzoic acid Traditional Name: 3-(diphenylselenophosphorylamino)-5-(5-thioxo-2H-tetrazol-1-yl)benzoic acid Formula: C20H16N5O2PSSe MolecularWeight: 500.372101

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=[Se])(C2=CC=CC=C2)NC3=CC(=CC(=C3)N4C(=S)N=NN4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)P(=[Se])(C2=CC=CC=C2)NC3=CC(=CC(=C3)N4C(=S)N=NN4)C(=O)O

InChI

InChI=1S/C20H16N5O2PSSe/c26-19(27)14-11-15(13-16(12-14)25-20(29)21-23-24-25)22-28(30,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13H,(H,22,30)(H,26,27)(H,21,24,29)