N-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide

Systemtic Name: N-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide Openeye Name: N-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxamide CAS Name: N-[4-(1H-benzimidazol-2-ylthio)phenyl]-5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxamide IUPAC Name: N-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide Traditional Name: N-[4-(1H-benzimidazol-2-ylthio)phenyl]-5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxamide Formula: C22H22ClN5OS MolecularWeight: 439.96098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=CC=C(C=C2)SC3=NC4=CC=CC=C4N3)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=CC=C(C=C2)SC3=NC4=CC=CC=C4N3)Cl)CC(C)C

InChI

InChI=1S/C22H22ClN5OS/c1-13(2)12-28-20(23)19(14(3)27-28)21(29)24-15-8-10-16(11-9-15)30-22-25-17-6-4-5-7-18(17)26-22/h4-11,13H,12H2,1-3H3,(H,24,29)(H,25,26)