2-[(3-methylthiophen-2-yl)methylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(3-methylthiophen-2-yl)methylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(3-methyl-2-thienyl)methylamino]-5-nitro-benzonitrile CAS Name: 2-[(3-methyl-2-thiophenyl)methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[(3-methylthiophen-2-yl)methylamino]-5-nitrobenzonitrile Traditional Name: 2-[(3-methyl-2-thienyl)methylamino]-5-nitro-benzonitrile Formula: C13H11N3O2S MolecularWeight: 273.31034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(SC=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H11N3O2S/c1-9-4-5-19-13(9)8-15-12-3-2-11(16(17)18)6-10(12)7-14/h2-6,15H,8H2,1H3