N-(azocan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carbothioamide

Systemtic Name: N-(azocan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carbothioamide Openeye Name: N-(azocan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carbothioamide CAS Name: N-(1-azocanyl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carbothioamide IUPAC Name: N-(azocan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carbothioamide Traditional Name: N-(azocan-1-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-pyrazoline-3-carbothioamide Formula: C23H25Cl3N4S MolecularWeight: 495.8954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)NC(=S)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCCN(CCC1)NC(=S)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H25Cl3N4S/c24-17-8-6-16(7-9-17)22-15-20(23(31)28-29-12-4-2-1-3-5-13-29)27-30(22)21-11-10-18(25)14-19(21)26/h6-11,14,22H,1-5,12-13,15H2,(H,28,31)