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

Systemtic Name: 1-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-phthalazine Openeye Name: 1-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-phthalazine CAS Name: 1-[(4-nitrophenyl)methylthio]-4-phenylphthalazine IUPAC Name: 1-[(4-nitrophenyl)methylsulfanyl]-4-phenylphthalazine Traditional Name: 1-[(4-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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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