3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(4-phenyl-1-phthalazinyl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(4-phenylphthalazin-1-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C22H15N5OS MolecularWeight: 397.4524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H15N5OS/c28-22-18-12-6-7-13-19(18)23-26-27(22)14-29-21-17-11-5-4-10-16(17)20(24-25-21)15-8-2-1-3-9-15/h1-13H,14H2