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

Systemtic Name: 4-methyl-2-phenyl-7-phenylsulfanyl-1,2,4-benzotriazin-4-ium-3-one Openeye Name: 4-methyl-2-phenyl-7-phenylsulfanyl-1,2,4-benzotriazin-4-ium-3-one CAS Name: 4-methyl-2-phenyl-7-(phenylthio)-1,2,4-benzotriazin-4-ium-3-one IUPAC Name: 4-methyl-2-phenyl-7-phenylsulfanyl-1,2,4-benzotriazin-4-ium-3-one Traditional Name: 4-methyl-2-phenyl-7-(phenylthio)-1,2,4-benzotriazin-4-ium-3-one Formula: C20H16N3OS+ MolecularWeight: 346.42554

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC(=CC2=NN(C1=O)C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C[N+]1=C2C=CC(=CC2=NN(C1=O)C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C20H16N3OS/c1-22-19-13-12-17(25-16-10-6-3-7-11-16)14-18(19)21-23(20(22)24)15-8-4-2-5-9-15/h2-14H,1H3/q+1