5-methyl-2-phenyl-7-phenylsulfanyl-4,1,2-benzoxadiazin-2-ium-3-one

Systemtic Name: 5-methyl-2-phenyl-7-phenylsulfanyl-4,1,2-benzoxadiazin-2-ium-3-one Openeye Name: 5-methyl-2-phenyl-7-phenylsulfanyl-4,1,2-benzoxadiazin-2-ium-3-one CAS Name: 5-methyl-2-phenyl-7-(phenylthio)-4,1,2-benzoxadiazin-2-ium-3-one IUPAC Name: 5-methyl-2-phenyl-7-phenylsulfanyl-4,1,2-benzoxadiazin-2-ium-3-one Traditional Name: 5-methyl-2-phenyl-7-(phenylthio)-4,1,2-benzoxadiazin-2-ium-3-one Formula: C20H15N2O2S+ MolecularWeight: 347.4103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1OC(=O)[N+](=N2)C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC2=C1OC(=O)[N+](=N2)C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C20H15N2O2S/c1-14-12-17(25-16-10-6-3-7-11-16)13-18-19(14)24-20(23)22(21-18)15-8-4-2-5-9-15/h2-13H,1H3/q+1