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

Systemtic Name: 3-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[5-methyl-4-(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=C1N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)C

InChI

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