2-[1-(3-bromanylthiophen-2-yl)ethylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[1-(3-bromanylthiophen-2-yl)ethylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[1-(3-bromo-2-thienyl)ethylamino]-5-nitro-benzonitrile CAS Name: 2-[1-(3-bromo-2-thiophenyl)ethylamino]-5-nitrobenzonitrile IUPAC Name: 2-[1-(3-bromothiophen-2-yl)ethylamino]-5-nitrobenzonitrile Traditional Name: 2-[1-(3-bromo-2-thienyl)ethylamino]-5-nitro-benzonitrile Formula: C13H10BrN3O2S MolecularWeight: 352.2064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CS1)Br)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C1=C(C=CS1)Br)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H10BrN3O2S/c1-8(13-11(14)4-5-20-13)16-12-3-2-10(17(18)19)6-9(12)7-15/h2-6,8,16H,1H3