2-[[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-yl-ethyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-yl-ethyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[(2S)-2-(1H-indol-3-yl)-2-(2-thienyl)ethyl]amino]-5-nitro-benzonitrile CAS Name: 2-[[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[(2S)-2-(1H-indol-3-yl)-2-(2-thienyl)ethyl]amino]-5-nitro-benzonitrile Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(CNC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)[C@@H](CNC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C4=CC=CS4

InChI

InChI=1S/C21H16N4O2S/c22-11-14-10-15(25(26)27)7-8-19(14)23-13-18(21-6-3-9-28-21)17-12-24-20-5-2-1-4-16(17)20/h1-10,12,18,23-24H,13H2/t18-/m1/s1