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

Systemtic Name: 6-[2-[1-(3-chloranyl-2-methyl-phenyl)imidazol-2-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[[1-(3-chloro-2-methylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C=CN=C2SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C=CN=C2SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C20H16ClN3O3S/c1-12-14(21)3-2-4-16(12)24-8-7-22-20(24)28-11-17(25)13-5-6-18-15(9-13)23-19(26)10-27-18/h2-9H,10-11H2,1H3,(H,23,26)