ethyl (5Z)-4-(4-chlorophenyl)-5-(5-oxidanylidene-3-phenyl-1H-pyrazol-4-ylidene)-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: ethyl (5Z)-4-(4-chlorophenyl)-5-(5-oxidanylidene-3-phenyl-1H-pyrazol-4-ylidene)-1,3,4-thiadiazole-2-carboxylate Openeye Name: ethyl (5Z)-4-(4-chlorophenyl)-5-(5-oxo-3-phenyl-1H-pyrazol-4-ylidene)-1,3,4-thiadiazole-2-carboxylate CAS Name: (5Z)-4-(4-chlorophenyl)-5-(5-oxo-3-phenyl-1H-pyrazol-4-ylidene)-1,3,4-thiadiazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl (5Z)-4-(4-chlorophenyl)-5-(5-oxo-3-phenyl-1H-pyrazol-4-ylidene)-1,3,4-thiadiazole-2-carboxylate Traditional Name: (5Z)-4-(4-chlorophenyl)-5-(3-keto-5-phenyl-2-pyrazolin-4-ylidene)-1,3,4-thiadiazole-2-carboxylic acid ethyl ester Formula: C20H15ClN4O3S MolecularWeight: 426.8761

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C2C(=NNC2=O)C3=CC=CC=C3)S1)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=NN(/C(=C/2\C(=NNC2=O)C3=CC=CC=C3)/S1)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H15ClN4O3S/c1-2-28-20(27)18-24-25(14-10-8-13(21)9-11-14)19(29-18)15-16(22-23-17(15)26)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,23,26)/b19-15-