N-methyl-2-[[4,5,7-trideuterio-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-6-yl]sulfanyl]benzamide

Systemtic Name: N-methyl-2-[[4,5,7-trideuterio-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-6-yl]sulfanyl]benzamide Openeye Name: N-methyl-2-[[4,5,7-trideuterio-3-[(E)-2-(2-pyridyl)vinyl]-2H-indazol-6-yl]sulfanyl]benzamide CAS Name: N-methyl-2-[[4,5,7-trideuterio-3-[(E)-2-(2-pyridinyl)ethenyl]-2H-indazol-6-yl]thio]benzamide IUPAC Name: N-methyl-2-[[4,5,7-trideuterio-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-6-yl]sulfanyl]benzamide Traditional Name: N-methyl-2-[[4,5,7-trideuterio-3-[(E)-2-(2-pyridyl)vinyl]-2H-indazol-6-yl]thio]benzamide Formula: C22H18N4OS MolecularWeight: 389.488005

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=CC=C1SC2=CC3=NNC(=C3C=C2)C=CC4=CC=CC=N4

Isomeric SMILES

[2H]C1=C(C(=C(C2=NNC(=C12)/C=C/C3=CC=CC=N3)[2H])SC4=CC=CC=C4C(=O)NC)[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+/i10D,11D,14D