1-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-4-(phenylmethyl)phthalazine

Systemtic Name: 1-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-4-(phenylmethyl)phthalazine Openeye Name: 1-benzyl-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-phthalazine CAS Name: 1-[(1-oxido-2-pyridin-1-iumyl)thio]-4-(phenylmethyl)phthalazine IUPAC Name: 1-benzyl-4-(1-oxidopyridin-1-ium-2-yl)sulfanylphthalazine Traditional Name: 1-benzyl-4-[(1-oxidopyridin-1-ium-2-yl)thio]phthalazine Formula: C20H15N3OS MolecularWeight: 345.4176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(C3=CC=CC=C32)SC4=CC=CC=[N+]4[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(C3=CC=CC=C32)SC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C20H15N3OS/c24-23-13-7-6-12-19(23)25-20-17-11-5-4-10-16(17)18(21-22-20)14-15-8-2-1-3-9-15/h1-13H,14H2