4-[5-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate

Systemtic Name: 4-[5-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: 4-[5-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyltetrazol-1-yl]benzoate CAS Name: 4-[5-[[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]thio]-1-tetrazolyl]benzoate IUPAC Name: 4-[5-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyltetrazol-1-yl]benzoate Traditional Name: 4-[5-[[2-keto-2-(2-ketochromen-3-yl)ethyl]thio]tetrazol-1-yl]benzoate Formula: C19H11N4O5S- MolecularWeight: 407.37944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)CSC3=NN=NN3C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)CSC3=NN=NN3C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C19H12N4O5S/c24-15(14-9-12-3-1-2-4-16(12)28-18(14)27)10-29-19-20-21-22-23(19)13-7-5-11(6-8-13)17(25)26/h1-9H,10H2,(H,25,26)/p-1