5-nitro-2-[(phenylmethyl)amino]thiophene-3-carbonitrile

Systemtic Name: 5-nitro-2-[(phenylmethyl)amino]thiophene-3-carbonitrile Openeye Name: 2-(benzylamino)-5-nitro-thiophene-3-carbonitrile CAS Name: 5-nitro-2-[(phenylmethyl)amino]-3-thiophenecarbonitrile IUPAC Name: 2-(benzylamino)-5-nitrothiophene-3-carbonitrile Traditional Name: 2-(benzylamino)-5-nitro-thiophene-3-carbonitrile Formula: C12H9N3O2S MolecularWeight: 259.28376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(S2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(S2)[N+](=O)[O-])C#N

InChI

InChI=1S/C12H9N3O2S/c13-7-10-6-11(15(16)17)18-12(10)14-8-9-4-2-1-3-5-9/h1-6,14H,8H2