6-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(1-methyl-5-phenyl-2-imidazolyl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(1-methyl-5-phenyl-imidazol-2-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=CN=C1SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3O3S/c1-23-16(13-5-3-2-4-6-13)10-21-20(23)27-12-17(24)14-7-8-18-15(9-14)22-19(25)11-26-18/h2-10H,11-12H2,1H3,(H,22,25)