4-[(E)-[2-(4-methylquinolin-2-yl)sulfanylethanoylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[2-(4-methylquinolin-2-yl)sulfanylethanoylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]hydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[[2-[(4-methyl-2-quinolyl)thio]acetyl]hydrazono]methyl]benzoic acid Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NN=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N/N=C/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H17N3O3S/c1-13-10-19(22-17-5-3-2-4-16(13)17)27-12-18(24)23-21-11-14-6-8-15(9-7-14)20(25)26/h2-11H,12H2,1H3,(H,23,24)(H,25,26)/b21-11+