6-[2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-3-(5-methylhexan-2-yl)-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-(5-methylhexan-2-yl)-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-(1,4-dimethylpentyl)thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)imino]-3-(5-methylhexan-2-yl)-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-3-(5-methylhexan-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-(1,4-dimethylpentyl)-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)imino]-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C29H33N5O3S MolecularWeight: 531.66902

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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)C(C)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)C(C)CCC(C)C

InChI

InChI=1S/C29H33N5O3S/c1-18(2)11-12-19(3)33-24(21-13-14-25-23(15-21)30-26(35)16-37-25)17-38-29(33)31-27-20(4)32(5)34(28(27)36)22-9-7-6-8-10-22/h6-10,13-15,17-19H,11-12,16H2,1-5H3,(H,30,35)