3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-1H-pyrazole

Systemtic Name: 3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-1H-pyrazole Openeye Name: 3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-1H-pyrazole CAS Name: 3,5-dimethyl-4-[(4-nitrophenyl)thio]-1H-pyrazole IUPAC Name: 3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-1H-pyrazole Traditional Name: 3,5-dimethyl-4-[(4-nitrophenyl)thio]-1H-pyrazole Formula: C11H11N3O2S MolecularWeight: 249.28894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O2S/c1-7-11(8(2)13-12-7)17-10-5-3-9(4-6-10)14(15)16/h3-6H,1-2H3,(H,12,13)