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

Systemtic Name: 3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCN2C(=O)C3=CC=CC=C3N=N2)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCN2C(=O)C3=CC=CC=C3N=N2)C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H20N6O2S/c1-13(2)26-18(14-8-10-15(28-3)11-9-14)22-23-20(26)29-12-25-19(27)16-6-4-5-7-17(16)21-24-25/h4-11,13H,12H2,1-3H3