(E)-3-[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]-N-(pyridin-3-ylmethylcarbamothioyl)prop-2-enamide

Systemtic Name: (E)-3-[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]-N-(pyridin-3-ylmethylcarbamothioyl)prop-2-enamide Openeye Name: (E)-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]-N-(3-pyridylmethylcarbamothioyl)prop-2-enamide CAS Name: (E)-3-[5-(3-chloro-4-methylphenyl)-2-furanyl]-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-(pyridin-3-ylmethylcarbamothioyl)prop-2-enamide Traditional Name: (E)-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]-N-(3-pyridylmethylthiocarbamoyl)acrylamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C=CC(=O)NC(=S)NCC3=CN=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)/C=C/C(=O)NC(=S)NCC3=CN=CC=C3)Cl

InChI

InChI=1S/C21H18ClN3O2S/c1-14-4-5-16(11-18(14)22)19-8-6-17(27-19)7-9-20(26)25-21(28)24-13-15-3-2-10-23-12-15/h2-12H,13H2,1H3,(H2,24,25,26,28)/b9-7+