(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C19H14ClN5O2S MolecularWeight: 411.86476

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC=C(C=C3)N4C=NN=N4)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC=C(C=C3)N4C=NN=N4)Cl

InChI

InChI=1S/C19H14ClN5O2S/c1-28-16-7-4-13-8-14(18(20)22-17(13)9-16)10-27-19(26)12-2-5-15(6-3-12)25-11-21-23-24-25/h2-9,11H,10H2,1H3