3-[3-[6,6-bis(bromanyl)hex-3-ynoxy]phenyl]-1-methyl-5-(3-nitro-4-propyl-phenyl)pyridine-4-thione

Systemtic Name: 3-[3-[6,6-bis(bromanyl)hex-3-ynoxy]phenyl]-1-methyl-5-(3-nitro-4-propyl-phenyl)pyridine-4-thione Openeye Name: 3-[3-(6,6-dibromohex-3-ynoxy)phenyl]-1-methyl-5-(3-nitro-4-propyl-phenyl)pyridine-4-thione CAS Name: 3-[3-(6,6-dibromohex-3-ynoxy)phenyl]-1-methyl-5-(3-nitro-4-propylphenyl)-4-pyridinethione IUPAC Name: 3-[3-(6,6-dibromohex-3-ynoxy)phenyl]-1-methyl-5-(3-nitro-4-propylphenyl)pyridine-4-thione Traditional Name: 3-[3-(6,6-dibromohex-3-ynoxy)phenyl]-1-methyl-5-(3-nitro-4-propyl-phenyl)pyridine-4-thione Formula: C27H26Br2N2O3S MolecularWeight: 618.37994

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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)OCCC#CCC(Br)Br)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C27H26Br2N2O3S/c1-3-8-19-12-13-21(16-25(19)31(32)33)24-18-30(2)17-23(27(24)35)20-9-7-10-22(15-20)34-14-6-4-5-11-26(28)29/h7,9-10,12-13,15-18,26H,3,6,8,11,14H2,1-2H3