5-nitro-2-[(2-pyrrol-1-ylthiophen-3-yl)methylamino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[(2-pyrrol-1-ylthiophen-3-yl)methylamino]benzenecarbonitrile Openeye Name: 5-nitro-2-[(2-pyrrol-1-yl-3-thienyl)methylamino]benzonitrile CAS Name: 5-nitro-2-[[2-(1-pyrrolyl)-3-thiophenyl]methylamino]benzonitrile IUPAC Name: 5-nitro-2-[(2-pyrrol-1-ylthiophen-3-yl)methylamino]benzonitrile Traditional Name: 5-nitro-2-[(2-pyrrol-1-yl-3-thienyl)methylamino]benzonitrile Formula: C16H12N4O2S MolecularWeight: 324.35708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=C(C=CS2)CNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CN(C=C1)C2=C(C=CS2)CNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H12N4O2S/c17-10-13-9-14(20(21)22)3-4-15(13)18-11-12-5-8-23-16(12)19-6-1-2-7-19/h1-9,18H,11H2