N-[[2-[(E)-2-phenylethenyl]-6-(pyridin-4-ylmethylsulfanyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide

Systemtic Name: N-[[2-[(E)-2-phenylethenyl]-6-(pyridin-4-ylmethylsulfanyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide Openeye Name: N-[[6-(4-pyridylmethylsulfanyl)-2-[(E)-styryl]imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide CAS Name: N-[[2-[(E)-2-phenylethenyl]-6-(pyridin-4-ylmethylthio)-3-imidazo[1,2-b]pyridazinyl]methyl]benzamide IUPAC Name: N-[[2-[(E)-2-phenylethenyl]-6-(pyridin-4-ylmethylsulfanyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide Traditional Name: N-[[6-(4-pyridylmethylthio)-2-[(E)-styryl]imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide Formula: C28H23N5OS MolecularWeight: 477.58012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=C(N3C(=N2)C=CC(=N3)SCC4=CC=NC=C4)CNC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=C(N3C(=N2)C=CC(=N3)SCC4=CC=NC=C4)CNC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H23N5OS/c34-28(23-9-5-2-6-10-23)30-19-25-24(12-11-21-7-3-1-4-8-21)31-26-13-14-27(32-33(25)26)35-20-22-15-17-29-18-16-22/h1-18H,19-20H2,(H,30,34)/b12-11+