methyl 2-[[(E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-1-oxoprop-2-enyl]amino]-5-propyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoyl]amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-acryloyl]amino]-5-propyl-thiophene-3-carboxylic acid methyl ester Formula: C22H19BrN4O3S MolecularWeight: 499.38026

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)C(=CC2=C(NN=C2)C3=CC=C(C=C3)Br)C#N)C(=O)OC

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)/C(=C/C2=C(NN=C2)C3=CC=C(C=C3)Br)/C#N)C(=O)OC

InChI

InChI=1S/C22H19BrN4O3S/c1-3-4-17-10-18(22(29)30-2)21(31-17)26-20(28)14(11-24)9-15-12-25-27-19(15)13-5-7-16(23)8-6-13/h5-10,12H,3-4H2,1-2H3,(H,25,27)(H,26,28)/b14-9+