methyl 4-[5-[(2-oxidanylidene-1H-quinolin-4-yl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]benzoate

Systemtic Name: methyl 4-[5-[(2-oxidanylidene-1H-quinolin-4-yl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: methyl 4-[5-[(2-oxo-1H-quinolin-4-yl)methylsulfanyl]tetrazol-1-yl]benzoate CAS Name: 4-[5-[(2-oxo-1H-quinolin-4-yl)methylthio]-1-tetrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(2-oxo-1H-quinolin-4-yl)methylsulfanyl]tetrazol-1-yl]benzoate Traditional Name: 4-[5-[(2-keto-1H-quinolin-4-yl)methylthio]tetrazol-1-yl]benzoic acid methyl ester Formula: C19H15N5O3S MolecularWeight: 393.4191

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C19H15N5O3S/c1-27-18(26)12-6-8-14(9-7-12)24-19(21-22-23-24)28-11-13-10-17(25)20-16-5-3-2-4-15(13)16/h2-10H,11H2,1H3,(H,20,25)