6-phenoxathiin-2-yl-N-(phenylmethyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-amine

Systemtic Name: 6-phenoxathiin-2-yl-N-(phenylmethyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-amine Openeye Name: N-benzyl-6-phenoxathiin-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-amine CAS Name: 6-(2-phenoxathiinyl)-N-(phenylmethyl)-[1,2,4]triazolo[3,4-a]phthalazin-3-amine IUPAC Name: N-benzyl-6-phenoxathiin-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-amine Traditional Name: benzyl-(6-phenoxathiin-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)amine Formula: C28H19N5OS MolecularWeight: 473.54836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN=C3N2N=C(C4=CC=CC=C43)C5=CC6=C(C=C5)OC7=CC=CC=C7S6

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN=C3N2N=C(C4=CC=CC=C43)C5=CC6=C(C=C5)OC7=CC=CC=C7S6

InChI

InChI=1S/C28H19N5OS/c1-2-8-18(9-3-1)17-29-28-31-30-27-21-11-5-4-10-20(21)26(32-33(27)28)19-14-15-23-25(16-19)35-24-13-7-6-12-22(24)34-23/h1-16H,17H2,(H,29,31)