6-[2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-3-prop-2-enyl-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-prop-2-enyl-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-allyl-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-prop-2-enyl-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-3-prop-2-enyl-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-allyl-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)imino]-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C25H23N5O3S MolecularWeight: 473.54682

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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)CC=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)CC=C

InChI

InChI=1S/C25H23N5O3S/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/h4-11,13,15H,1,12,14H2,2-3H3,(H,26,31)