5-butyl-3a-(4-chlorophenyl)-7-methylsulfanyl-4,5,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 5-butyl-3a-(4-chlorophenyl)-7-methylsulfanyl-4,5,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 5-butyl-3a-(4-chlorophenyl)-7-methylsulfanyl-4,5,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 5-butyl-3a-(4-chlorophenyl)-7-(methylthio)-4,5,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 5-butyl-3a-(4-chlorophenyl)-7-methylsulfanyl-4,5,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 5-butyl-3a-(4-chlorophenyl)-7-(methylthio)-4,5,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C18H23ClN4S MolecularWeight: 362.92002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN4S/c1-3-4-5-16-10-17(24-2)23-18(22-16,14(11-20)12-21-23)13-6-8-15(19)9-7-13/h6-9,12,16-17,21-22H,3-5,10H2,1-2H3