(2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)ethanoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)ethanoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]acetate CAS Name: 2-(5-oxo-4-thiophen-2-yl-1-tetrazolyl)acetic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetate Traditional Name: 2-[5-keto-4-(2-thienyl)tetrazol-1-yl]acetic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C16H12BrN5O4S MolecularWeight: 450.26658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CN2C(=O)N(N=N2)C3=CC=CS3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CN2C(=O)N(N=N2)C3=CC=CS3

InChI

InChI=1S/C16H12BrN5O4S/c1-2-25-12-7-10(8-18)6-11(17)15(12)26-14(23)9-21-16(24)22(20-19-21)13-4-3-5-27-13/h3-7H,2,9H2,1H3