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

Systemtic Name: 5-butyl-7-phenylsulfanyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 5-butyl-7-phenylsulfanyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 5-butyl-7-(phenylthio)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 5-butyl-7-phenylsulfanyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 5-butyl-7-(phenylthio)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C17H22N4S MolecularWeight: 314.44838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(N2C(N1)C(=CN2)C#N)SC3=CC=CC=C3

Isomeric SMILES

CCCCC1CC(N2C(N1)C(=CN2)C#N)SC3=CC=CC=C3

InChI

InChI=1S/C17H22N4S/c1-2-3-7-14-10-16(22-15-8-5-4-6-9-15)21-17(20-14)13(11-18)12-19-21/h4-6,8-9,12,14,16-17,19-20H,2-3,7,10H2,1H3