6-[2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-3-pentan-3-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-3-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-ethylpropyl)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-3-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-3-yl-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-(1-ethylpropyl)-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)imino]-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C27H29N5O3S MolecularWeight: 503.61586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(CC)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/c1-5-19(6-2)31-22(18-12-13-23-21(14-18)28-24(33)15-35-23)16-36-27(31)29-25-17(3)30(4)32(26(25)34)20-10-8-7-9-11-20/h7-14,16,19H,5-6,15H2,1-4H3,(H,28,33)