ethyl 5-azanyl-3-[[5-(4-bromophenyl)-1,2,3,4-tetrazol-2-yl]methyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[5-(4-bromophenyl)-1,2,3,4-tetrazol-2-yl]methyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[5-(4-bromophenyl)-2-tetrazolyl]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C16H13BrN6O2S MolecularWeight: 433.28242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2N=C(N=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2N=C(N=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H13BrN6O2S/c1-2-25-16(24)13-12(11(7-18)14(19)26-13)8-23-21-15(20-22-23)9-3-5-10(17)6-4-9/h3-6H,2,8,19H2,1H3