1-(2,4-dinitrophenyl)sulfanyl-4-phenyl-phthalazine

Systemtic Name: 1-(2,4-dinitrophenyl)sulfanyl-4-phenyl-phthalazine Openeye Name: 1-(2,4-dinitrophenyl)sulfanyl-4-phenyl-phthalazine CAS Name: 1-[(2,4-dinitrophenyl)thio]-4-phenylphthalazine IUPAC Name: 1-(2,4-dinitrophenyl)sulfanyl-4-phenylphthalazine Traditional Name: 1-[(2,4-dinitrophenyl)thio]-4-phenyl-phthalazine Formula: C20H12N4O4S MolecularWeight: 404.39868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H12N4O4S/c25-23(26)14-10-11-18(17(12-14)24(27)28)29-20-16-9-5-4-8-15(16)19(21-22-20)13-6-2-1-3-7-13/h1-12H