methyl 5-[[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]carbamoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-[[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]carbamoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]carbamoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[[5-tert-butyl-2-(4-fluorophenyl)-3-pyrazolyl]amino]-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]carbamoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]carbamoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C22H22FN5O3S MolecularWeight: 455.505183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)NC2=CC(=NN2C3=CC=C(C=C3)F)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)NC2=CC(=NN2C3=CC=C(C=C3)F)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C22H22FN5O3S/c1-12-15(11-24)19(32-18(12)20(29)31-5)26-21(30)25-17-10-16(22(2,3)4)27-28(17)14-8-6-13(23)7-9-14/h6-10H,1-5H3,(H2,25,26,30)