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

Systemtic Name: 4-nitro-5-[(phenylmethyl)amino]thiophene-2-carbonitrile Openeye Name: 5-(benzylamino)-4-nitro-thiophene-2-carbonitrile CAS Name: 4-nitro-5-[(phenylmethyl)amino]-2-thiophenecarbonitrile IUPAC Name: 5-(benzylamino)-4-nitrothiophene-2-carbonitrile Traditional Name: 5-(benzylamino)-4-nitro-thiophene-2-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)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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