ethyl (3S,4R)-3-cyano-4-(4-methylphenyl)-2-(4-nitrophenyl)-5-thiophen-2-yl-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl (3S,4R)-3-cyano-4-(4-methylphenyl)-2-(4-nitrophenyl)-5-thiophen-2-yl-4H-pyrazole-3-carboxylate Openeye Name: ethyl (3S,4R)-3-cyano-2-(4-nitrophenyl)-4-(p-tolyl)-5-(2-thienyl)-4H-pyrazole-3-carboxylate CAS Name: (3S,4R)-3-cyano-4-(4-methylphenyl)-2-(4-nitrophenyl)-5-thiophen-2-yl-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R)-3-cyano-4-(4-methylphenyl)-2-(4-nitrophenyl)-5-thiophen-2-yl-4H-pyrazole-3-carboxylate Traditional Name: (3S,4R)-3-cyano-2-(4-nitrophenyl)-4-(p-tolyl)-5-(2-thienyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C24H20N4O4S MolecularWeight: 460.505

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3)C4=CC=C(C=C4)C)C#N

Isomeric SMILES

CCOC(=O)[C@]1([C@H](C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3)C4=CC=C(C=C4)C)C#N

InChI

InChI=1S/C24H20N4O4S/c1-3-32-23(29)24(15-25)21(17-8-6-16(2)7-9-17)22(20-5-4-14-33-20)26-27(24)18-10-12-19(13-11-18)28(30)31/h4-14,21H,3H2,1-2H3/t21-,24+/m0/s1