5-(4-chlorophenyl)-N-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(4-chlorophenyl)-N-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(4-chlorophenyl)-N-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-chlorophenyl)-N-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-chlorophenyl)-N-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(4-chlorophenyl)-N-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-phenyl-2-pyrazoline-1-carbothioamide Formula: C25H23ClN4O2S2 MolecularWeight: 511.05872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)NC(=S)N3CC(C(=N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)NC(=S)N3CC(C(=N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H23ClN4O2S2/c26-22-12-10-20(11-13-22)24-23(19-7-2-1-3-8-19)17-30(27-24)25(33)28-34(31,32)29-15-14-18-6-4-5-9-21(18)16-29/h1-13,23H,14-17H2,(H,28,33)