2,3,4,5-tetradeuterio-N-methyl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide

Systemtic Name: 2,3,4,5-tetradeuterio-N-methyl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide Openeye Name: 2,3,4,5-tetradeuterio-N-methyl-6-[[3-[(E)-2-(2-pyridyl)vinyl]-1H-indazol-6-yl]sulfanyl]benzamide CAS Name: 2,3,4,5-tetradeuterio-N-methyl-6-[[3-[(E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]benzamide IUPAC Name: 2,3,4,5-tetradeuterio-N-methyl-6-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide Traditional Name: 2,3,4,5-tetradeuterio-N-methyl-6-[[3-[(E)-2-(2-pyridyl)vinyl]-1H-indazol-6-yl]thio]benzamide Formula: C22H18N4OS MolecularWeight: 390.494167

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)C=CC4=CC=CC=N4

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])C(=O)NC)SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4)[2H])[2H]

InChI

InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+/i2D,3D,7D,8D