3-[3-[3,3-bis(bromanyl)prop-2-enoxy]phenyl]-1-methyl-5-(3-nitro-4-propyl-phenyl)pyridine-4-thione

Systemtic Name: 3-[3-[3,3-bis(bromanyl)prop-2-enoxy]phenyl]-1-methyl-5-(3-nitro-4-propyl-phenyl)pyridine-4-thione Openeye Name: 3-[3-(3,3-dibromoallyloxy)phenyl]-1-methyl-5-(3-nitro-4-propyl-phenyl)pyridine-4-thione CAS Name: 3-[3-(3,3-dibromoprop-2-enoxy)phenyl]-1-methyl-5-(3-nitro-4-propylphenyl)-4-pyridinethione IUPAC Name: 3-[3-(3,3-dibromoprop-2-enoxy)phenyl]-1-methyl-5-(3-nitro-4-propylphenyl)pyridine-4-thione Traditional Name: 3-[3-(3,3-dibromoallyloxy)phenyl]-1-methyl-5-(3-nitro-4-propyl-phenyl)pyridine-4-thione Formula: C24H22Br2N2O3S MolecularWeight: 578.31608

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)C2=CN(C=C(C2=S)C3=CC(=CC=C3)OCC=C(Br)Br)C)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C=C(C=C1)C2=CN(C=C(C2=S)C3=CC(=CC=C3)OCC=C(Br)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C24H22Br2N2O3S/c1-3-5-16-8-9-18(13-22(16)28(29)30)21-15-27(2)14-20(24(21)32)17-6-4-7-19(12-17)31-11-10-23(25)26/h4,6-10,12-15H,3,5,11H2,1-2H3