2-methylsulfanyl-5-(4-oxidanylbutyl)-7-phenylsulfanyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 2-methylsulfanyl-5-(4-oxidanylbutyl)-7-phenylsulfanyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 5-(4-hydroxybutyl)-2-methylsulfanyl-7-phenylsulfanyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 5-(4-hydroxybutyl)-2-(methylthio)-7-(phenylthio)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 5-(4-hydroxybutyl)-2-methylsulfanyl-7-phenylsulfanyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 5-(4-hydroxybutyl)-2-(methylthio)-7-(phenylthio)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C18H24N4OS2 MolecularWeight: 376.53936

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2NC(CC(N2N1)SC3=CC=CC=C3)CCCCO)C#N

Isomeric SMILES

CSC1=C(C2NC(CC(N2N1)SC3=CC=CC=C3)CCCCO)C#N

InChI

InChI=1S/C18H24N4OS2/c1-24-18-15(12-19)17-20-13(7-5-6-10-23)11-16(22(17)21-18)25-14-8-3-2-4-9-14/h2-4,8-9,13,16-17,20-21,23H,5-7,10-11H2,1H3