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

Systemtic Name: 3-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(5-benzyl-4-methyl-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:

CN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3N=N2)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3N=N2)CC4=CC=CC=C4

InChI

InChI=1S/C18H16N6OS/c1-23-16(11-13-7-3-2-4-8-13)20-21-18(23)26-12-24-17(25)14-9-5-6-10-15(14)19-22-24/h2-10H,11-12H2,1H3