methyl 3-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 3-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[[1-(4-isopropylphenyl)tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[[1-(4-propan-2-ylphenyl)-5-tetrazolyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[(1-p-cumenyltetrazol-5-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3S/c1-11(2)12-4-6-14(7-5-12)21-17(18-19-20-21)25-10-13-8-9-24-15(13)16(22)23-3/h4-9,11H,10H2,1-3H3