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

Systemtic Name: methyl 4-[5-[(2-methoxyphenyl)methylsulfanyl]-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: methyl 4-[5-[(2-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]benzoate CAS Name: 4-[5-[(2-methoxyphenyl)methylthio]-1-tetrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(2-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]benzoate Traditional Name: 4-[5-(o-anisylthio)tetrazol-1-yl]benzoic acid methyl ester Formula: C17H16N4O3S MolecularWeight: 356.39894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=NN=NN2C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1CSC2=NN=NN2C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H16N4O3S/c1-23-15-6-4-3-5-13(15)11-25-17-18-19-20-21(17)14-9-7-12(8-10-14)16(22)24-2/h3-10H,11H2,1-2H3