ethyl 3-cyano-2-methylsulfanyl-7-phenylsulfanyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-5-carboxylate

Systemtic Name: ethyl 3-cyano-2-methylsulfanyl-7-phenylsulfanyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-5-carboxylate Openeye Name: ethyl 3-cyano-2-methylsulfanyl-7-phenylsulfanyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-5-carboxylate CAS Name: 3-cyano-2-(methylthio)-7-(phenylthio)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-2-methylsulfanyl-7-phenylsulfanyl-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-5-carboxylate Traditional Name: 3-cyano-2-(methylthio)-7-(phenylthio)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N4O2S2 MolecularWeight: 376.4963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N2C(N1)C(=C(N2)SC)C#N)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CC(N2C(N1)C(=C(N2)SC)C#N)SC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O2S2/c1-3-23-17(22)13-9-14(25-11-7-5-4-6-8-11)21-15(19-13)12(10-18)16(20-21)24-2/h4-8,13-15,19-20H,3,9H2,1-2H3