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

Systemtic Name: 2-cyano-N-(3-methoxypropyl)-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enamide Openeye Name: 2-cyano-N-(3-methoxypropyl)-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enamide CAS Name: 2-cyano-N-(3-methoxypropyl)-3-[1-phenyl-3-[4-(propylthio)phenyl]-4-pyrazolyl]-2-propenamide IUPAC Name: 2-cyano-N-(3-methoxypropyl)-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enamide Traditional Name: 2-cyano-N-(3-methoxypropyl)-3-[1-phenyl-3-[4-(propylthio)phenyl]pyrazol-4-yl]acrylamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCCOC)C3=CC=CC=C3

Isomeric SMILES

CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCCOC)C3=CC=CC=C3

InChI

InChI=1S/C26H28N4O2S/c1-3-16-33-24-12-10-20(11-13-24)25-22(19-30(29-25)23-8-5-4-6-9-23)17-21(18-27)26(31)28-14-7-15-32-2/h4-6,8-13,17,19H,3,7,14-16H2,1-2H3,(H,28,31)