N,N,1-triethyl-2-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: N,N,1-triethyl-2-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: N,N,1-triethyl-2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: N,N,1-triethyl-2-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: N,N,1-triethyl-2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: N,N,1-triethyl-2-[[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]thio]benzimidazole-5-sulfonamide Formula: C24H29N5O3S2 MolecularWeight: 499.64876

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N5O3S2/c1-4-27(5-2)34(31,32)19-12-13-22-21(16-19)25-24(28(22)6-3)33-17-23(30)29-15-14-20(26-29)18-10-8-7-9-11-18/h7-13,16H,4-6,14-15,17H2,1-3H3