1-[(2-nitrophenyl)methylsulfanyl]-4-phenyl-phthalazine

Systemtic Name: 1-[(2-nitrophenyl)methylsulfanyl]-4-phenyl-phthalazine Openeye Name: 1-[(2-nitrophenyl)methylsulfanyl]-4-phenyl-phthalazine CAS Name: 1-[(2-nitrophenyl)methylthio]-4-phenylphthalazine IUPAC Name: 1-[(2-nitrophenyl)methylsulfanyl]-4-phenylphthalazine Traditional Name: 1-[(2-nitrobenzyl)thio]-4-phenyl-phthalazine Formula: C21H15N3O2S MolecularWeight: 373.4277

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O2S/c25-24(26)19-13-7-4-10-16(19)14-27-21-18-12-6-5-11-17(18)20(22-23-21)15-8-2-1-3-9-15/h1-13H,14H2