5-[(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylmethyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 5-[(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylmethyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 5-[(5-chloro-1-propyl-benzimidazol-2-yl)sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 5-[[(5-chloro-1-propyl-2-benzimidazolyl)thio]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 5-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 5-[[(5-chloro-1-propyl-benzimidazol-2-yl)thio]methyl]-7-keto-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C18H15ClN6OS MolecularWeight: 398.8693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN6OS/c1-2-5-24-15-4-3-12(19)6-14(15)23-18(24)27-10-13-7-16(26)25-17(22-13)11(8-20)9-21-25/h3-4,6-7,9,21H,2,5,10H2,1H3