2-[(3-cyano-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(3-cyano-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(3-cyano-7-keto-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C18H17N7O3S2 MolecularWeight: 443.50268

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC(=O)N4C(=N3)C(=CN4)C#N

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC(=O)N4C(=N3)C(=CN4)C#N

InChI

InChI=1S/C18H17N7O3S2/c1-2-5-24-15-4-3-13(30(20,27)28)7-14(15)23-18(24)29-10-12-6-16(26)25-17(22-12)11(8-19)9-21-25/h3-4,6-7,9,21H,2,5,10H2,1H3,(H2,20,27,28)