2-[5-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid

Systemtic Name: 2-[5-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid Openeye Name: 2-[5-[(E)-(allylcarbamothioylhydrazono)methyl]-2-furyl]benzoic acid CAS Name: 2-[5-[(E)-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 2-[5-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid Traditional Name: 2-[5-[(E)-(allylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid Formula: C16H15N3O3S MolecularWeight: 329.3736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NN=CC1=CC=C(O1)C2=CC=CC=C2C(=O)O

Isomeric SMILES

C=CCNC(=S)N/N=C/C1=CC=C(O1)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H15N3O3S/c1-2-9-17-16(23)19-18-10-11-7-8-14(22-11)12-5-3-4-6-13(12)15(20)21/h2-8,10H,1,9H2,(H,20,21)(H2,17,19,23)/b18-10+