5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(3-ethylsulfanylpropyl)-3,4-dihydropyrazole-2-carboxamide

Systemtic Name: 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(3-ethylsulfanylpropyl)-3,4-dihydropyrazole-2-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(3-ethylsulfanylpropyl)-3,4-dihydropyrazole-2-carboxamide CAS Name: 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-[3-(ethylthio)propyl]-3,4-dihydropyrazole-2-carboxamide IUPAC Name: 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(3-ethylsulfanylpropyl)-3,4-dihydropyrazole-2-carboxamide Traditional Name: 3-(4-chlorophenyl)-N-(4-cyanophenyl)-4-[3-(ethylthio)propyl]-2-pyrazoline-1-carboxamide Formula: C22H23ClN4OS MolecularWeight: 426.96222

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCCC1CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCSCCCC1CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H23ClN4OS/c1-2-29-13-3-4-18-15-27(26-21(18)17-7-9-19(23)10-8-17)22(28)25-20-11-5-16(14-24)6-12-20/h5-12,18H,2-4,13,15H2,1H3,(H,25,28)