6-[3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-2-prop-2-enylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-2-prop-2-enylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-allylimino-3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]-2-prop-2-enylimino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-prop-2-enylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-allylimino-3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C25H21ClN6O2S MolecularWeight: 504.99124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NN2C(=CSC2=NCC=C)C3=CC4=C(C=C3)OCC(=O)N4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C=NN2C(=CSC2=NCC=C)C3=CC4=C(C=C3)OCC(=O)N4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H21ClN6O2S/c1-3-11-27-25-32(21(15-35-25)17-9-10-22-20(12-17)29-23(33)14-34-22)28-13-19-16(2)30-31(24(19)26)18-7-5-4-6-8-18/h3-10,12-13,15H,1,11,14H2,2H3,(H,29,33)