2-[(4-bromanylthiophen-2-yl)methylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(4-bromanylthiophen-2-yl)methylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(4-bromo-2-thienyl)methylamino]-5-nitro-benzonitrile CAS Name: 2-[(4-bromo-2-thiophenyl)methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[(4-bromothiophen-2-yl)methylamino]-5-nitrobenzonitrile Traditional Name: 2-[(4-bromo-2-thienyl)methylamino]-5-nitro-benzonitrile Formula: C12H8BrN3O2S MolecularWeight: 338.17982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NCC2=CC(=CS2)Br

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NCC2=CC(=CS2)Br

InChI

InChI=1S/C12H8BrN3O2S/c13-9-4-11(19-7-9)6-15-12-2-1-10(16(17)18)3-8(12)5-14/h1-4,7,15H,6H2