[3-(1,2,3,4-tetrazol-1-yl)phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [3-(1,2,3,4-tetrazol-1-yl)phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [3-(tetrazol-1-yl)phenyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [3-(1-tetrazolyl)phenyl] ester IUPAC Name: [3-(tetrazol-1-yl)phenyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [3-(tetrazol-1-yl)phenyl] ester Formula: C16H9ClN4O2S MolecularWeight: 356.78626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)OC3=CC=CC(=C3)N4C=NN=N4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)OC3=CC=CC(=C3)N4C=NN=N4)Cl

InChI

InChI=1S/C16H9ClN4O2S/c17-14-12-6-1-2-7-13(12)24-15(14)16(22)23-11-5-3-4-10(8-11)21-9-18-19-20-21/h1-9H