5-chloranyl-2-[2-[2-(phenylsulfonyl)ethylsulfanyl]pyridin-3-yl]-3,1-benzoxazin-4-one

Systemtic Name: 5-chloranyl-2-[2-[2-(phenylsulfonyl)ethylsulfanyl]pyridin-3-yl]-3,1-benzoxazin-4-one Openeye Name: 2-[2-[2-(benzenesulfonyl)ethylsulfanyl]-3-pyridyl]-5-chloro-3,1-benzoxazin-4-one CAS Name: 2-[2-[2-(benzenesulfonyl)ethylthio]-3-pyridinyl]-5-chloro-3,1-benzoxazin-4-one IUPAC Name: 2-[2-[2-(benzenesulfonyl)ethylsulfanyl]pyridin-3-yl]-5-chloro-3,1-benzoxazin-4-one Traditional Name: 2-[2-(2-besylethylthio)-3-pyridyl]-5-chloro-3,1-benzoxazin-4-one Formula: C21H15ClN2O4S2 MolecularWeight: 458.9378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C=CC=N2)C3=NC4=C(C(=CC=C4)Cl)C(=O)O3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C=CC=N2)C3=NC4=C(C(=CC=C4)Cl)C(=O)O3

InChI

InChI=1S/C21H15ClN2O4S2/c22-16-9-4-10-17-18(16)21(25)28-19(24-17)15-8-5-11-23-20(15)29-12-13-30(26,27)14-6-2-1-3-7-14/h1-11H,12-13H2