3-[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide

Systemtic Name: 3-[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide Openeye Name: 3-[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(2-furylmethyl)prop-2-enamide CAS Name: 3-[3-[4-(butylthio)phenyl]-1-phenyl-4-pyrazolyl]-2-cyano-N-(2-furanylmethyl)-2-propenamide IUPAC Name: 3-[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide Traditional Name: 3-[3-[4-(butylthio)phenyl]-1-phenyl-pyrazol-4-yl]-2-cyano-N-(2-furfuryl)acrylamide Formula: C28H26N4O2S MolecularWeight: 482.59664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C28H26N4O2S/c1-2-3-16-35-26-13-11-21(12-14-26)27-23(20-32(31-27)24-8-5-4-6-9-24)17-22(18-29)28(33)30-19-25-10-7-15-34-25/h4-15,17,20H,2-3,16,19H2,1H3,(H,30,33)