3-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C23H18N6O2S MolecularWeight: 442.49302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H18N6O2S/c1-31-20-14-8-6-12-18(20)21-25-26-23(29(21)16-9-3-2-4-10-16)32-15-28-22(30)17-11-5-7-13-19(17)24-27-28/h2-14H,15H2,1H3