(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: (1-phenyltetrazol-5-yl)methyl 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C17H13N5O2S MolecularWeight: 351.38242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)COC(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)COC(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C17H13N5O2S/c23-17(16-14(8-11-25-16)21-9-4-5-10-21)24-12-15-18-19-20-22(15)13-6-2-1-3-7-13/h1-11H,12H2