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

Systemtic Name: (Z)-2-cyano-N-(furan-2-ylmethyl)-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (Z)-2-cyano-N-(2-furylmethyl)-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enamide CAS Name: (Z)-2-cyano-N-(2-furanylmethyl)-3-[1-phenyl-3-[4-(propylthio)phenyl]-4-pyrazolyl]-2-propenamide IUPAC Name: (Z)-2-cyano-N-(furan-2-ylmethyl)-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enamide Traditional Name: (Z)-2-cyano-N-(2-furfuryl)-3-[1-phenyl-3-[4-(propylthio)phenyl]pyrazol-4-yl]acrylamide Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

CCCSC1=CC=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)NCC3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C27H24N4O2S/c1-2-15-34-25-12-10-20(11-13-25)26-22(19-31(30-26)23-7-4-3-5-8-23)16-21(17-28)27(32)29-18-24-9-6-14-33-24/h3-14,16,19H,2,15,18H2,1H3,(H,29,32)/b21-16-