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

Systemtic Name: methyl 2-methyl-5-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 5-[[1-(4-isopropylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 2-methyl-5-[[[1-(4-propan-2-ylphenyl)-5-tetrazolyl]thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-methyl-5-[[(1-p-cumenyltetrazol-5-yl)thio]methyl]furan-3-carboxylic acid methyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NN=NN2C3=CC=C(C=C3)C(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NN=NN2C3=CC=C(C=C3)C(C)C)C(=O)OC

InChI

InChI=1S/C18H20N4O3S/c1-11(2)13-5-7-14(8-6-13)22-18(19-20-21-22)26-10-15-9-16(12(3)25-15)17(23)24-4/h5-9,11H,10H2,1-4H3