N,N,1-triethyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: N,N,1-triethyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: N,N,1-triethyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: N,N,1-triethyl-2-[[4-(1-pyrazolyl)phenyl]methylthio]-5-benzimidazolesulfonamide IUPAC Name: N,N,1-triethyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: N,N,1-triethyl-2-[(4-pyrazol-1-ylbenzyl)thio]benzimidazole-5-sulfonamide Formula: C23H27N5O2S2 MolecularWeight: 469.62278

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C23H27N5O2S2/c1-4-26(5-2)32(29,30)20-12-13-22-21(16-20)25-23(27(22)6-3)31-17-18-8-10-19(11-9-18)28-15-7-14-24-28/h7-16H,4-6,17H2,1-3H3