4-[(E)-[2-(4,6-dimethylquinolin-2-yl)sulfanylethanoylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[2-(4,6-dimethylquinolin-2-yl)sulfanylethanoylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[[2-[(4,6-dimethyl-2-quinolyl)sulfanyl]acetyl]hydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[[2-[(4,6-dimethyl-2-quinolinyl)thio]-1-oxoethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[[2-(4,6-dimethylquinolin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[[2-[(4,6-dimethyl-2-quinolyl)thio]acetyl]hydrazono]methyl]benzoic acid Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C)SCC(=O)NN=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C)SCC(=O)N/N=C/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H19N3O3S/c1-13-3-8-18-17(9-13)14(2)10-20(23-18)28-12-19(25)24-22-11-15-4-6-16(7-5-15)21(26)27/h3-11H,12H2,1-2H3,(H,24,25)(H,26,27)/b22-11+