ethyl 4-cyano-5-[[1-(2,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[[1-(2,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[1-(2,4-dimethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC=C2C(=NN(C2=O)C3=C(C=C(C=C3)C)C)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC=C2C(=NN(C2=O)C3=C(C=C(C=C3)C)C)C)C#N)C

InChI

InChI=1S/C22H22N4O3S/c1-6-29-22(28)19-14(4)16(10-23)20(30-19)24-11-17-15(5)25-26(21(17)27)18-8-7-12(2)9-13(18)3/h7-9,11,24H,6H2,1-5H3