N-(4-chlorophenyl)sulfonyl-4-phenyl-5-pyridin-3-yl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: N-(4-chlorophenyl)sulfonyl-4-phenyl-5-pyridin-3-yl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: N-(4-chlorophenyl)sulfonyl-4-phenyl-5-(3-pyridyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: N-(4-chlorophenyl)sulfonyl-4-phenyl-5-(3-pyridinyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: N-(4-chlorophenyl)sulfonyl-4-phenyl-5-pyridin-3-yl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: N-(4-chlorophenyl)sulfonyl-4-phenyl-3-(3-pyridyl)-2-pyrazoline-1-carbothioamide Formula: C21H17ClN4O2S2 MolecularWeight: 456.96828

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=NN1C(=S)NS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C(C(=NN1C(=S)NS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17ClN4O2S2/c22-17-8-10-18(11-9-17)30(27,28)25-21(29)26-14-19(15-5-2-1-3-6-15)20(24-26)16-7-4-12-23-13-16/h1-13,19H,14H2,(H,25,29)