4,5,6-trimethyl-3-(4-methylphenyl)sulfonyl-2-methylsulfanyl-7H-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 4,5,6-trimethyl-3-(4-methylphenyl)sulfonyl-2-methylsulfanyl-7H-pyrazolo[1,5-a]pyrimidine Openeye Name: 4,5,6-trimethyl-2-methylsulfanyl-3-(p-tolylsulfonyl)-7H-pyrazolo[1,5-a]pyrimidine CAS Name: 4,5,6-trimethyl-3-(4-methylphenyl)sulfonyl-2-(methylthio)-7H-pyrazolo[1,5-a]pyrimidine IUPAC Name: 4,5,6-trimethyl-3-(4-methylphenyl)sulfonyl-2-methylsulfanyl-7H-pyrazolo[1,5-a]pyrimidine Traditional Name: 4,5,6-trimethyl-2-(methylthio)-3-tosyl-7H-pyrazolo[1,5-a]pyrimidine Formula: C17H21N3O2S2 MolecularWeight: 363.49754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C(C(=NN2C1)SC)S(=O)(=O)C3=CC=C(C=C3)C)C)C

Isomeric SMILES

CC1=C(N(C2=C(C(=NN2C1)SC)S(=O)(=O)C3=CC=C(C=C3)C)C)C

InChI

InChI=1S/C17H21N3O2S2/c1-11-6-8-14(9-7-11)24(21,22)15-16(23-5)18-20-10-12(2)13(3)19(4)17(15)20/h6-9H,10H2,1-5H3