1-[(3-bromophenyl)methylsulfanyl]-4-phenyl-phthalazine

Systemtic Name: 1-[(3-bromophenyl)methylsulfanyl]-4-phenyl-phthalazine Openeye Name: 1-[(3-bromophenyl)methylsulfanyl]-4-phenyl-phthalazine CAS Name: 1-[(3-bromophenyl)methylthio]-4-phenylphthalazine IUPAC Name: 1-[(3-bromophenyl)methylsulfanyl]-4-phenylphthalazine Traditional Name: 1-[(3-bromobenzyl)thio]-4-phenyl-phthalazine Formula: C21H15BrN2S MolecularWeight: 407.3262

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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)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H15BrN2S/c22-17-10-6-7-15(13-17)14-25-21-19-12-5-4-11-18(19)20(23-24-21)16-8-2-1-3-9-16/h1-13H,14H2