1-[4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone

Systemtic Name: 1-[4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone Openeye Name: 1-[4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone CAS Name: 1-[4-[(4-chlorophenyl)thio]-3,5-dimethyl-1-pyrazolyl]-2-(4-nitrophenoxy)ethanone IUPAC Name: 1-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-(4-nitrophenoxy)ethanone Traditional Name: 1-[4-[(4-chlorophenyl)thio]-3,5-dimethyl-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone Formula: C19H16ClN3O4S MolecularWeight: 417.86604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=NN1C(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16ClN3O4S/c1-12-19(28-17-9-3-14(20)4-10-17)13(2)22(21-12)18(24)11-27-16-7-5-15(6-8-16)23(25)26/h3-10H,11H2,1-2H3