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

Systemtic Name: ethyl 4-cyano-5-[[1-(4-iodophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[1-(4-iodophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[1-(4-iodophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[1-(4-iodophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[1-(4-iodophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H17IN4O3S MolecularWeight: 520.34345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17IN4O3S/c1-4-28-20(27)17-11(2)15(9-22)18(29-17)23-10-16-12(3)24-25(19(16)26)14-7-5-13(21)6-8-14/h5-8,10,23H,4H2,1-3H3