4-[(E)-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[[2-(1,3-benzothiazol-2-ylthio)acetyl]hydrazono]methyl]benzoic acid Formula: C17H13N3O3S2 MolecularWeight: 371.43342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NN=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)N/N=C/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H13N3O3S2/c21-15(10-24-17-19-13-3-1-2-4-14(13)25-17)20-18-9-11-5-7-12(8-6-11)16(22)23/h1-9H,10H2,(H,20,21)(H,22,23)/b18-9+