4-[(E)-[(2-thiophen-2-ylquinolin-4-yl)carbonylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[(2-thiophen-2-ylquinolin-4-yl)carbonylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[[2-(2-thienyl)quinoline-4-carbonyl]hydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[[2-(2-thienyl)quinoline-4-carbonyl]hydrazono]methyl]benzoic acid Formula: C22H15N3O3S MolecularWeight: 401.4378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NN=CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)N/N=C/C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H15N3O3S/c26-21(25-23-13-14-7-9-15(10-8-14)22(27)28)17-12-19(20-6-3-11-29-20)24-18-5-2-1-4-16(17)18/h1-13H,(H,25,26)(H,27,28)/b23-13+