N-butyl-2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-butyl-2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethanamide Openeye Name: N-butyl-2-[[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]sulfanyl]acetamide CAS Name: N-butyl-2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]thio]acetamide IUPAC Name: N-butyl-2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]acetamide Traditional Name: N-butyl-2-[[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]thio]acetamide Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NNC(=C1C2=CC=NC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCNC(=O)CSC1=NNC(=C1C2=CC=NC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN4OS/c1-2-3-10-23-17(26)13-27-20-18(14-8-11-22-12-9-14)19(24-25-20)15-4-6-16(21)7-5-15/h4-9,11-12H,2-3,10,13H2,1H3,(H,23,26)(H,24,25)