6-[2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-3-(3-methylbutylideneamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-3-(3-methylbutylideneamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)imino-3-(3-methylbutylideneamino)thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)imino]-3-(3-methylbutylideneamino)-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-3-(3-methylbutylideneamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)imino]-3-(3-methylbutylideneamino)-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C27H28N6O3S MolecularWeight: 516.61462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=CC5=C(C=C4)OCC(=O)N5)N=CCC(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=CC5=C(C=C4)OCC(=O)N5)N=CCC(C)C

InChI

InChI=1S/C27H28N6O3S/c1-17(2)12-13-28-32-22(19-10-11-23-21(14-19)29-24(34)15-36-23)16-37-27(32)30-25-18(3)31(4)33(26(25)35)20-8-6-5-7-9-20/h5-11,13-14,16-17H,12,15H2,1-4H3,(H,29,34)