(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C19H15BrN4O4S MolecularWeight: 475.3158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H15BrN4O4S/c1-2-27-19(26)16-13(12(8-21)17(22)29-16)9-28-18(25)15-7-14(23-24-15)10-3-5-11(20)6-4-10/h3-7H,2,9,22H2,1H3,(H,23,24)