6-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[[1-(3,4-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C21H19N3O3S MolecularWeight: 393.45886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4)C

InChI

InChI=1S/C21H19N3O3S/c1-13-3-5-16(9-14(13)2)24-8-7-22-21(24)28-12-18(25)15-4-6-19-17(10-15)23-20(26)11-27-19/h3-10H,11-12H2,1-2H3,(H,23,26)