3-[4-bromanyl-5-(4-methylphenyl)sulfanyl-furan-2-yl]-2-cyano-N-methyl-prop-2-enamide

Systemtic Name: 3-[4-bromanyl-5-(4-methylphenyl)sulfanyl-furan-2-yl]-2-cyano-N-methyl-prop-2-enamide Openeye Name: 3-[4-bromo-5-(p-tolylsulfanyl)-2-furyl]-2-cyano-N-methyl-prop-2-enamide CAS Name: 3-[4-bromo-5-[(4-methylphenyl)thio]-2-furanyl]-2-cyano-N-methyl-2-propenamide IUPAC Name: 3-[4-bromo-5-(4-methylphenyl)sulfanylfuran-2-yl]-2-cyano-N-methylprop-2-enamide Traditional Name: 3-[4-bromo-5-(p-tolylthio)-2-furyl]-2-cyano-N-methyl-acrylamide Formula: C16H13BrN2O2S MolecularWeight: 377.25562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(O2)C=C(C#N)C(=O)NC)Br

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(O2)C=C(C#N)C(=O)NC)Br

InChI

InChI=1S/C16H13BrN2O2S/c1-10-3-5-13(6-4-10)22-16-14(17)8-12(21-16)7-11(9-18)15(20)19-2/h3-8H,1-2H3,(H,19,20)