methyl 4-[5-[(E)-[(4-methylphenyl)carbamothioylhydrazinylidene]methyl]furan-2-yl]benzoate

Systemtic Name: methyl 4-[5-[(E)-[(4-methylphenyl)carbamothioylhydrazinylidene]methyl]furan-2-yl]benzoate Openeye Name: methyl 4-[5-[(E)-(p-tolylcarbamothioylhydrazono)methyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-[[(4-methylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(E)-[(4-methylphenyl)carbamothioylhydrazinylidene]methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-(p-tolylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid methyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NN=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=C(O2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H19N3O3S/c1-14-3-9-17(10-4-14)23-21(28)24-22-13-18-11-12-19(27-18)15-5-7-16(8-6-15)20(25)26-2/h3-13H,1-2H3,(H2,23,24,28)/b22-13+