(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (1-phenyltetrazol-5-yl)methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C17H11N5O4S MolecularWeight: 381.36534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H11N5O4S/c23-17(15-9-11-8-13(22(24)25)6-7-14(11)27-15)26-10-16-18-19-20-21(16)12-4-2-1-3-5-12/h1-9H,10H2