6-[2-(2-methylprop-2-enylimino)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(2-methylprop-2-enylimino)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(2-methylallylimino)-3-(3-pyridylmethyleneamino)thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(2-methylprop-2-enylimino)-3-(3-pyridinylmethylideneamino)-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(2-methylprop-2-enylimino)-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(2-methylallylimino)-3-(3-pyridylmethyleneamino)-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN=C1N(C(=CS1)C2=CC3=C(C=C2)OCC(=O)N3)N=CC4=CN=CC=C4

Isomeric SMILES

CC(=C)CN=C1N(C(=CS1)C2=CC3=C(C=C2)OCC(=O)N3)N=CC4=CN=CC=C4

InChI

InChI=1S/C21H19N5O2S/c1-14(2)9-23-21-26(24-11-15-4-3-7-22-10-15)18(13-29-21)16-5-6-19-17(8-16)25-20(27)12-28-19/h3-8,10-11,13H,1,9,12H2,2H3,(H,25,27)