2-chloranyl-5-[3-methylidene-4-[(4-methylsulfanylphenyl)methylidene]-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid

Systemtic Name: 2-chloranyl-5-[3-methylidene-4-[(4-methylsulfanylphenyl)methylidene]-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid Openeye Name: 2-chloro-5-[3-methylene-4-[(4-methylsulfanylphenyl)methylene]-5-oxo-pyrazolidin-1-yl]benzoic acid CAS Name: 2-chloro-5-[3-methylene-4-[[4-(methylthio)phenyl]methylidene]-5-oxo-1-pyrazolidinyl]benzoic acid IUPAC Name: 2-chloro-5-[3-methylidene-4-[(4-methylsulfanylphenyl)methylidene]-5-oxopyrazolidin-1-yl]benzoic acid Traditional Name: 2-chloro-5-[5-keto-3-methylene-4-[4-(methylthio)benzylidene]pyrazolidin-1-yl]benzoic acid Formula: C19H15ClN2O3S MolecularWeight: 386.852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C2C(=C)NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C=C2C(=C)NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C19H15ClN2O3S/c1-11-15(9-12-3-6-14(26-2)7-4-12)18(23)22(21-11)13-5-8-17(20)16(10-13)19(24)25/h3-10,21H,1H2,2H3,(H,24,25)