2-[(E)-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 2-[(E)-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylhydrazinylidene]methyl]benzoic acid Openeye Name: 2-[(E)-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]hydrazono]methyl]benzoic acid CAS Name: 2-[(E)-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 2-[(E)-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 2-[(E)-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]hydrazono]methyl]benzoic acid Formula: C18H17BrN2O3S MolecularWeight: 421.30818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NN=CC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N/N=C/C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H17BrN2O3S/c1-11-8-16(12(2)7-15(11)19)25-10-17(22)21-20-9-13-5-3-4-6-14(13)18(23)24/h3-9H,10H2,1-2H3,(H,21,22)(H,23,24)/b20-9+