6-[2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-3-propyl-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-propyl-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-propyl-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)imino]-3-propyl-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-3-propyl-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-propyl-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C25H25N5O3S MolecularWeight: 475.5627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CSC1=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

CCCN1C(=CSC1=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C25H25N5O3S/c1-4-12-29-20(17-10-11-21-19(13-17)26-22(31)14-33-21)15-34-25(29)27-23-16(2)28(3)30(24(23)32)18-8-6-5-7-9-18/h5-11,13,15H,4,12,14H2,1-3H3,(H,26,31)