3,5-dimethyl-4-(4-methylphenyl)sulfanyl-1-(2-nitrophenyl)sulfonyl-pyrazole

Systemtic Name: 3,5-dimethyl-4-(4-methylphenyl)sulfanyl-1-(2-nitrophenyl)sulfonyl-pyrazole Openeye Name: 3,5-dimethyl-1-(2-nitrophenyl)sulfonyl-4-(p-tolylsulfanyl)pyrazole CAS Name: 3,5-dimethyl-4-[(4-methylphenyl)thio]-1-(2-nitrophenyl)sulfonylpyrazole IUPAC Name: 3,5-dimethyl-4-(4-methylphenyl)sulfanyl-1-(2-nitrophenyl)sulfonylpyrazole Traditional Name: 3,5-dimethyl-1-(2-nitrophenyl)sulfonyl-4-(p-tolylthio)pyrazole Formula: C18H17N3O4S2 MolecularWeight: 403.47528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C18H17N3O4S2/c1-12-8-10-15(11-9-12)26-18-13(2)19-20(14(18)3)27(24,25)17-7-5-4-6-16(17)21(22)23/h4-11H,1-3H3