3-cyanopropyl 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: 3-cyanopropyl 1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: 3-cyanopropyl 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid 3-cyanopropyl ester Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C(=O)OCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C(=O)OCCCC#N

InChI

InChI=1S/C18H15N3O2S/c19-10-4-5-11-23-18(22)15-13-21(14-7-2-1-3-8-14)20-17(15)16-9-6-12-24-16/h1-3,6-9,12-13H,4-5,11H2