methyl 4-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[1-(2-methoxy-5-methylphenyl)-5-tetrazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]thio]methyl]benzoic acid methyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H18N4O3S/c1-12-4-9-16(24-2)15(10-12)22-18(19-20-21-22)26-11-13-5-7-14(8-6-13)17(23)25-3/h4-10H,11H2,1-3H3