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

Systemtic Name: 3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C17H14N6OS MolecularWeight: 350.39766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N6OS/c1-22-15(12-7-3-2-4-8-12)19-20-17(22)25-11-23-16(24)13-9-5-6-10-14(13)18-21-23/h2-10H,11H2,1H3