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

Systemtic Name: 3-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C24H21N7OS MolecularWeight: 455.53484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)C5=CN=CC=C5

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)C5=CN=CC=C5

InChI

InChI=1S/C24H21N7OS/c1-16(2)18-9-4-6-12-21(18)31-22(17-8-7-13-25-14-17)27-28-24(31)33-15-30-23(32)19-10-3-5-11-20(19)26-29-30/h3-14,16H,15H2,1-2H3