2-[7-(3-bromophenyl)-3-cyano-2-methylsulfanyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-5-yl]cyclopropane-1-carboxylic acid

Systemtic Name: 2-[7-(3-bromophenyl)-3-cyano-2-methylsulfanyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-5-yl]cyclopropane-1-carboxylic acid Openeye Name: 2-[7-(3-bromophenyl)-3-cyano-2-methylsulfanyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-5-yl]cyclopropanecarboxylic acid CAS Name: 2-[7-(3-bromophenyl)-3-cyano-2-(methylthio)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-5-yl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[7-(3-bromophenyl)-3-cyano-2-methylsulfanyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-5-yl]cyclopropane-1-carboxylic acid Traditional Name: 2-[7-(3-bromophenyl)-3-cyano-2-(methylthio)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-5-yl]cyclopropanecarboxylic acid Formula: C18H19BrN4O2S MolecularWeight: 435.33806

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2NC(CC(N2N1)C3=CC(=CC=C3)Br)C4CC4C(=O)O)C#N

Isomeric SMILES

CSC1=C(C2NC(CC(N2N1)C3=CC(=CC=C3)Br)C4CC4C(=O)O)C#N

InChI

InChI=1S/C18H19BrN4O2S/c1-26-17-13(8-20)16-21-14(11-6-12(11)18(24)25)7-15(23(16)22-17)9-3-2-4-10(19)5-9/h2-5,11-12,14-16,21-22H,6-7H2,1H3,(H,24,25)