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

Systemtic Name: 3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C17H13N5O2S MolecularWeight: 351.38242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(O2)SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(O2)SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H13N5O2S/c1-11-6-2-3-7-12(11)15-19-20-17(24-15)25-10-22-16(23)13-8-4-5-9-14(13)18-21-22/h2-9H,10H2,1H3