2-[(5-bromanylthiophen-2-yl)methyl-methyl-amino]-5-nitro-benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(S1)Br)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CN(CC1=CC=C(S1)Br)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H10BrN3O2S/c1-16(8-11-3-5-13(14)20-11)12-4-2-10(17(18)19)6-9(12)7-15/h2-6H,8H2,1H3