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

Systemtic Name: 3-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C18H16N6OS MolecularWeight: 364.42424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H16N6OS/c1-12-7-3-4-8-13(12)16-20-21-18(23(16)2)26-11-24-17(25)14-9-5-6-10-15(14)19-22-24/h3-10H,11H2,1-2H3