(4-methylsulfanylphenyl)methyl 3-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid [4-(methylthio)benzyl] ester Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)N3C=NN=N3

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)N3C=NN=N3

InChI

InChI=1S/C16H14N4O2S/c1-23-15-7-5-12(6-8-15)10-22-16(21)13-3-2-4-14(9-13)20-11-17-18-19-20/h2-9,11H,10H2,1H3