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

Systemtic Name: (Z)-3-[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: (Z)-N-benzyl-3-[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enamide CAS Name: (Z)-3-[3-[4-(butylthio)phenyl]-1-phenyl-4-pyrazolyl]-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: (Z)-N-benzyl-3-[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enamide Traditional Name: (Z)-N-benzyl-3-[3-[4-(butylthio)phenyl]-1-phenyl-pyrazol-4-yl]-2-cyano-acrylamide Formula: C30H28N4OS MolecularWeight: 492.63452

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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=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H28N4OS/c1-2-3-18-36-28-16-14-24(15-17-28)29-26(22-34(33-29)27-12-8-5-9-13-27)19-25(20-31)30(35)32-21-23-10-6-4-7-11-23/h4-17,19,22H,2-3,18,21H2,1H3,(H,32,35)/b25-19-