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

Systemtic Name: 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(2-ethylsulfanylethyl)-3,4-dihydropyrazole-2-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(2-ethylsulfanylethyl)-3,4-dihydropyrazole-2-carboxamide CAS Name: 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-[2-(ethylthio)ethyl]-3,4-dihydropyrazole-2-carboxamide IUPAC Name: 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(2-ethylsulfanylethyl)-3,4-dihydropyrazole-2-carboxamide Traditional Name: 3-(4-chlorophenyl)-N-(4-cyanophenyl)-4-[2-(ethylthio)ethyl]-2-pyrazoline-1-carboxamide Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC1CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCSCCC1CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21ClN4OS/c1-2-28-12-11-17-14-26(25-20(17)16-5-7-18(22)8-6-16)21(27)24-19-9-3-15(13-23)4-10-19/h3-10,17H,2,11-12,14H2,1H3,(H,24,27)