6-[2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-3-(phenylmethyl)-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-(phenylmethyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-benzyl-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-(phenylmethyl)-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-benzyl-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-benzyl-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)imino]-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C29H25N5O3S MolecularWeight: 523.6055

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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)CC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=CC5=C(C=C4)OCC(=O)N5)CC6=CC=CC=C6

InChI

InChI=1S/C29H25N5O3S/c1-19-27(28(36)34(32(19)2)22-11-7-4-8-12-22)31-29-33(16-20-9-5-3-6-10-20)24(18-38-29)21-13-14-25-23(15-21)30-26(35)17-37-25/h3-15,18H,16-17H2,1-2H3,(H,30,35)