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

Systemtic Name: 5-methyl-2-[2-[2-(phenylsulfonyl)ethylsulfanyl]pyridin-3-yl]-3,1-benzoxazin-4-one Openeye Name: 2-[2-[2-(benzenesulfonyl)ethylsulfanyl]-3-pyridyl]-5-methyl-3,1-benzoxazin-4-one CAS Name: 2-[2-[2-(benzenesulfonyl)ethylthio]-3-pyridinyl]-5-methyl-3,1-benzoxazin-4-one IUPAC Name: 2-[2-[2-(benzenesulfonyl)ethylsulfanyl]pyridin-3-yl]-5-methyl-3,1-benzoxazin-4-one Traditional Name: 2-[2-(2-besylethylthio)-3-pyridyl]-5-methyl-3,1-benzoxazin-4-one Formula: C22H18N2O4S2 MolecularWeight: 438.51932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(OC2=O)C3=C(N=CC=C3)SCCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(OC2=O)C3=C(N=CC=C3)SCCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O4S2/c1-15-7-5-11-18-19(15)22(25)28-20(24-18)17-10-6-12-23-21(17)29-13-14-30(26,27)16-8-3-2-4-9-16/h2-12H,13-14H2,1H3