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

Systemtic Name: 4-methyl-2-phenyl-7-phenylsulfanyl-3H-1,2,4-benzotriazin-4-ium Openeye Name: 4-methyl-2-phenyl-7-phenylsulfanyl-3H-1,2,4-benzotriazin-4-ium CAS Name: 4-methyl-2-phenyl-7-(phenylthio)-3H-1,2,4-benzotriazin-4-ium IUPAC Name: 4-methyl-2-phenyl-7-phenylsulfanyl-3H-1,2,4-benzotriazin-4-ium Traditional Name: 4-methyl-2-phenyl-7-(phenylthio)-3H-1,2,4-benzotriazin-4-ium Formula: C20H18N3S+ MolecularWeight: 332.44202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N3S/c1-22-15-23(16-8-4-2-5-9-16)21-19-14-18(12-13-20(19)22)24-17-10-6-3-7-11-17/h2-14H,15H2,1H3/q+1