4-[(E)-(pentylcarbamothioylhydrazinylidene)methyl]benzoic acid

Systemtic Name: 4-[(E)-(pentylcarbamothioylhydrazinylidene)methyl]benzoic acid Openeye Name: 4-[(E)-(pentylcarbamothioylhydrazono)methyl]benzoic acid CAS Name: 4-[(E)-[[(pentylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-(pentylcarbamothioylhydrazinylidene)methyl]benzoic acid Traditional Name: 4-[(E)-(amylthiocarbamoylhydrazono)methyl]benzoic acid Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NN=CC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCCNC(=S)N/N=C/C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C14H19N3O2S/c1-2-3-4-9-15-14(20)17-16-10-11-5-7-12(8-6-11)13(18)19/h5-8,10H,2-4,9H2,1H3,(H,18,19)(H2,15,17,20)/b16-10+