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

Systemtic Name: N-(azocan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-5-carbothioamide Openeye Name: N-(azocan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-5-carbothioamide CAS Name: N-(1-azocanyl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-5-carbothioamide IUPAC Name: N-(azocan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-5-carbothioamide Traditional Name: N-(azocan-1-yl)-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-2-pyrazoline-3-carbothioamide Formula: C24H28Cl2N4OS MolecularWeight: 491.47632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=S)NN4CCCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=S)NN4CCCCCCC4

InChI

InChI=1S/C24H28Cl2N4OS/c1-31-19-10-7-17(8-11-19)23-16-21(24(32)28-29-13-5-3-2-4-6-14-29)27-30(23)22-12-9-18(25)15-20(22)26/h7-12,15,23H,2-6,13-14,16H2,1H3,(H,28,32)