N-[5-(4-tert-butylphenyl)-2-phenyl-pyrazol-3-yl]-2-[(E)-3-phenylprop-2-enyl]sulfanyl-ethanamide

Systemtic Name: N-[5-(4-tert-butylphenyl)-2-phenyl-pyrazol-3-yl]-2-[(E)-3-phenylprop-2-enyl]sulfanyl-ethanamide Openeye Name: N-[5-(4-tert-butylphenyl)-2-phenyl-pyrazol-3-yl]-2-[(E)-cinnamyl]sulfanyl-acetamide CAS Name: N-[5-(4-tert-butylphenyl)-2-phenyl-3-pyrazolyl]-2-[[(E)-3-phenylprop-2-enyl]thio]acetamide IUPAC Name: N-[5-(4-tert-butylphenyl)-2-phenylpyrazol-3-yl]-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide Traditional Name: N-[5-(4-tert-butylphenyl)-2-phenyl-pyrazol-3-yl]-2-[[(E)-cinnamyl]thio]acetamide Formula: C30H31N3OS MolecularWeight: 481.65164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSCC=CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC/C=C/C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H31N3OS/c1-30(2,3)25-18-16-24(17-19-25)27-21-28(33(32-27)26-14-8-5-9-15-26)31-29(34)22-35-20-10-13-23-11-6-4-7-12-23/h4-19,21H,20,22H2,1-3H3,(H,31,34)/b13-10+