3-(4-chlorophenyl)-2,5-dimethyl-7-(2-methylprop-2-enylsulfanyl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 3-(4-chlorophenyl)-2,5-dimethyl-7-(2-methylprop-2-enylsulfanyl)pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(4-chlorophenyl)-2,5-dimethyl-7-(2-methylallylsulfanyl)pyrazolo[1,5-a]pyrimidine CAS Name: 3-(4-chlorophenyl)-2,5-dimethyl-7-(2-methylprop-2-enylthio)pyrazolo[1,5-a]pyrimidine IUPAC Name: 3-(4-chlorophenyl)-2,5-dimethyl-7-(2-methylprop-2-enylsulfanyl)pyrazolo[1,5-a]pyrimidine Traditional Name: 3-(4-chlorophenyl)-2,5-dimethyl-7-(2-methylallylthio)pyrazolo[1,5-a]pyrimidine Formula: C18H18ClN3S MolecularWeight: 343.87362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)SCC(=C)C)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)SCC(=C)C)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3S/c1-11(2)10-23-16-9-12(3)20-18-17(13(4)21-22(16)18)14-5-7-15(19)8-6-14/h5-9H,1,10H2,2-4H3