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

Systemtic Name: 5-butyl-2-methylsulfanyl-7-phenylsulfanyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 5-butyl-2-methylsulfanyl-7-phenylsulfanyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 5-butyl-2-(methylthio)-7-(phenylthio)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 5-butyl-2-methylsulfanyl-7-phenylsulfanyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 5-butyl-2-(methylthio)-7-(phenylthio)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C18H24N4S2 MolecularWeight: 360.53996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(N2C(N1)C(=C(N2)SC)C#N)SC3=CC=CC=C3

Isomeric SMILES

CCCCC1CC(N2C(N1)C(=C(N2)SC)C#N)SC3=CC=CC=C3

InChI

InChI=1S/C18H24N4S2/c1-3-4-8-13-11-16(24-14-9-6-5-7-10-14)22-17(20-13)15(12-19)18(21-22)23-2/h5-7,9-10,13,16-17,20-21H,3-4,8,11H2,1-2H3