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

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

CC1=NN=C(N1CC2=CC=CC=C2)SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCN3C(=O)C4=CC=CC=C4N=N3

InChI

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