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

Systemtic Name: 5-(4-chlorophenyl)-4-decyl-N-(4-methylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide Openeye Name: 5-(4-chlorophenyl)-4-decyl-N-(4-methylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide CAS Name: 5-(4-chlorophenyl)-4-decyl-N-[4-(methylthio)phenyl]-3,4-dihydropyrazole-2-carboxamide IUPAC Name: 5-(4-chlorophenyl)-4-decyl-N-(4-methylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide Traditional Name: 3-(4-chlorophenyl)-4-decyl-N-[4-(methylthio)phenyl]-2-pyrazoline-1-carboxamide Formula: C27H36ClN3OS MolecularWeight: 486.11224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CCCCCCCCCCC1CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C27H36ClN3OS/c1-3-4-5-6-7-8-9-10-11-22-20-31(30-26(22)21-12-14-23(28)15-13-21)27(32)29-24-16-18-25(33-2)19-17-24/h12-19,22H,3-11,20H2,1-2H3,(H,29,32)