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

Systemtic Name: 3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C25H22N6O2S MolecularWeight: 470.54618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CCC3=CC=CC=C3)SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CCC3=CC=CC=C3)SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C25H22N6O2S/c1-33-22-14-8-6-12-20(22)23-27-28-25(30(23)16-15-18-9-3-2-4-10-18)34-17-31-24(32)19-11-5-7-13-21(19)26-29-31/h2-14H,15-17H2,1H3