1-phenyl-4-(phenylmethylsulfanyl)phthalazine

Systemtic Name: 1-phenyl-4-(phenylmethylsulfanyl)phthalazine Openeye Name: 1-benzylsulfanyl-4-phenyl-phthalazine CAS Name: 1-phenyl-4-(phenylmethylthio)phthalazine IUPAC Name: 1-benzylsulfanyl-4-phenylphthalazine Traditional Name: 1-(benzylthio)-4-phenyl-phthalazine Formula: C21H16N2S MolecularWeight: 328.43014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2S/c1-3-9-16(10-4-1)15-24-21-19-14-8-7-13-18(19)20(22-23-21)17-11-5-2-6-12-17/h1-14H,15H2