6-[2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-3-pentan-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-pentan-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-methylbutyl)thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)imino]-3-pentan-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-pentan-2-yl-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-(1-methylbutyl)-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C27H29N5O3S MolecularWeight: 503.61586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C(=CSC1=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

CCCC(C)N1C(=CSC1=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C27H29N5O3S/c1-5-9-17(2)31-22(19-12-13-23-21(14-19)28-24(33)15-35-23)16-36-27(31)29-25-18(3)30(4)32(26(25)34)20-10-7-6-8-11-20/h6-8,10-14,16-17H,5,9,15H2,1-4H3,(H,28,33)