2-[(E)-(2-methylprop-2-enylcarbamothioylhydrazinylidene)methyl]benzoic acid

Systemtic Name: 2-[(E)-(2-methylprop-2-enylcarbamothioylhydrazinylidene)methyl]benzoic acid Openeye Name: 2-[(E)-(2-methylallylcarbamothioylhydrazono)methyl]benzoic acid CAS Name: 2-[(E)-[[(2-methylprop-2-enylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 2-[(E)-(2-methylprop-2-enylcarbamothioylhydrazinylidene)methyl]benzoic acid Traditional Name: 2-[(E)-(2-methylallylthiocarbamoylhydrazono)methyl]benzoic acid Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)NN=CC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(=C)CNC(=S)N/N=C/C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C13H15N3O2S/c1-9(2)7-14-13(19)16-15-8-10-5-3-4-6-11(10)12(17)18/h3-6,8H,1,7H2,2H3,(H,17,18)(H2,14,16,19)/b15-8+