6-chloranyl-2-[(phenylmethylsulfanyl)methyl]-3,1-benzoxazin-4-one

Systemtic Name: 6-chloranyl-2-[(phenylmethylsulfanyl)methyl]-3,1-benzoxazin-4-one Openeye Name: 2-(benzylsulfanylmethyl)-6-chloro-3,1-benzoxazin-4-one CAS Name: 6-chloro-2-[(phenylmethylthio)methyl]-3,1-benzoxazin-4-one IUPAC Name: 2-(benzylsulfanylmethyl)-6-chloro-3,1-benzoxazin-4-one Traditional Name: 2-[(benzylthio)methyl]-6-chloro-3,1-benzoxazin-4-one Formula: C16H12ClNO2S MolecularWeight: 317.78998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=NC3=C(C=C(C=C3)Cl)C(=O)O2

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=NC3=C(C=C(C=C3)Cl)C(=O)O2

InChI

InChI=1S/C16H12ClNO2S/c17-12-6-7-14-13(8-12)16(19)20-15(18-14)10-21-9-11-4-2-1-3-5-11/h1-8H,9-10H2