4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-olate

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: 4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: 4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: 4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenylpyrazol-3-olate Traditional Name: 4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-pyrazol-3-olate Formula: C16H12ClN2OS- MolecularWeight: 315.79728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H13ClN2OS/c1-11-15(21-14-9-7-12(17)8-10-14)16(20)19(18-11)13-5-3-2-4-6-13/h2-10,20H,1H3/p-1