4-[2-(5-bromanylthiophen-2-yl)ethylamino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[2-(5-bromanylthiophen-2-yl)ethylamino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[2-(5-bromo-2-thienyl)ethylamino]-3-nitro-benzonitrile CAS Name: 4-[2-(5-bromo-2-thiophenyl)ethylamino]-3-nitrobenzonitrile IUPAC Name: 4-[2-(5-bromothiophen-2-yl)ethylamino]-3-nitrobenzonitrile Traditional Name: 4-[2-(5-bromo-2-thienyl)ethylamino]-3-nitro-benzonitrile Formula: C13H10BrN3O2S MolecularWeight: 352.2064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NCCC2=CC=C(S2)Br

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NCCC2=CC=C(S2)Br

InChI

InChI=1S/C13H10BrN3O2S/c14-13-4-2-10(20-13)5-6-16-11-3-1-9(8-15)7-12(11)17(18)19/h1-4,7,16H,5-6H2