(E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acrylamide Formula: C28H26N6OS MolecularWeight: 494.61064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C=CC3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)/C=C/C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H26N6OS/c1-36-17-15-25(28-31-23-11-5-6-12-24(23)32-28)30-26(35)14-13-21-19-34(22-9-3-2-4-10-22)33-27(21)20-8-7-16-29-18-20/h2-14,16,18-19,25H,15,17H2,1H3,(H,30,35)(H,31,32)/b14-13+