(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 3-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-(4-methylphenyl)-2-thiophenecarboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 3-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-(p-tolyl)thiophene-2-carboxylic acid (1-butyltetrazol-5-yl)methyl ester Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=C(C=CS2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=C(C=CS2)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H20N4O2S/c1-3-4-10-22-16(19-20-21-22)12-24-18(23)17-15(9-11-25-17)14-7-5-13(2)6-8-14/h5-9,11H,3-4,10,12H2,1-2H3