4-methyl-3-[5-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid

Systemtic Name: 4-methyl-3-[5-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(E)-(allylcarbamothioylhydrazono)methyl]-2-furyl]-4-methyl-benzoic acid CAS Name: 4-methyl-3-[5-[(E)-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 4-methyl-3-[5-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[(E)-(allylthiocarbamoylhydrazono)methyl]-2-furyl]-4-methyl-benzoic acid Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)C=NNC(=S)NCC=C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)/C=N/NC(=S)NCC=C

InChI

InChI=1S/C17H17N3O3S/c1-3-8-18-17(24)20-19-10-13-6-7-15(23-13)14-9-12(16(21)22)5-4-11(14)2/h3-7,9-10H,1,8H2,2H3,(H,21,22)(H2,18,20,24)/b19-10+