1,3-bis(5-bromanylpyridin-2-yl)-1-(4-cyanophenyl)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1,3-bis(5-bromanylpyridin-2-yl)-1-(4-cyanophenyl)-3-(4-nitrophenyl)thiourea Openeye Name: 1,3-bis(5-bromo-2-pyridyl)-1-(4-cyanophenyl)-3-(4-nitrophenyl)thiourea CAS Name: 1,3-bis(5-bromo-2-pyridinyl)-1-(4-cyanophenyl)-3-(4-nitrophenyl)thiourea IUPAC Name: 1,3-bis(5-bromopyridin-2-yl)-1-(4-cyanophenyl)-3-(4-nitrophenyl)thiourea Traditional Name: 1,3-bis(5-bromo-2-pyridyl)-1-(4-cyanophenyl)-3-(4-nitrophenyl)thiourea Formula: C24H14Br2N6O2S MolecularWeight: 610.27996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(C2=NC=C(C=C2)Br)C(=S)N(C3=CC=C(C=C3)[N+](=O)[O-])C4=NC=C(C=C4)Br

Isomeric SMILES

C1=CC(=CC=C1C#N)N(C2=NC=C(C=C2)Br)C(=S)N(C3=CC=C(C=C3)[N+](=O)[O-])C4=NC=C(C=C4)Br

InChI

InChI=1S/C24H14Br2N6O2S/c25-17-3-11-22(28-14-17)30(19-5-1-16(13-27)2-6-19)24(35)31(23-12-4-18(26)15-29-23)20-7-9-21(10-8-20)32(33)34/h1-12,14-15H