6-[2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-3-(6-methylheptan-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-(6-methylheptan-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-(1,5-dimethylhexyl)-2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)imino]-3-(6-methylheptan-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-(6-methylheptan-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-(1,5-dimethylhexyl)-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)imino]-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C30H35N5O3S MolecularWeight: 545.6956

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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)CCCC(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)CCCC(C)C

InChI

InChI=1S/C30H35N5O3S/c1-19(2)10-9-11-20(3)34-25(22-14-15-26-24(16-22)31-27(36)17-38-26)18-39-30(34)32-28-21(4)33(5)35(29(28)37)23-12-7-6-8-13-23/h6-8,12-16,18-20H,9-11,17H2,1-5H3,(H,31,36)