5-(4-chlorophenyl)-4-(3-methoxypropyl)-N-(4-methylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide

Systemtic Name: 5-(4-chlorophenyl)-4-(3-methoxypropyl)-N-(4-methylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide Openeye Name: 5-(4-chlorophenyl)-4-(3-methoxypropyl)-N-(4-methylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide CAS Name: 5-(4-chlorophenyl)-4-(3-methoxypropyl)-N-[4-(methylthio)phenyl]-3,4-dihydropyrazole-2-carboxamide IUPAC Name: 5-(4-chlorophenyl)-4-(3-methoxypropyl)-N-(4-methylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide Traditional Name: 3-(4-chlorophenyl)-4-(3-methoxypropyl)-N-[4-(methylthio)phenyl]-2-pyrazoline-1-carboxamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

COCCCC1CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

COCCCC1CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H24ClN3O2S/c1-27-13-3-4-16-14-25(24-20(16)15-5-7-17(22)8-6-15)21(26)23-18-9-11-19(28-2)12-10-18/h5-12,16H,3-4,13-14H2,1-2H3,(H,23,26)