2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-5-nitrobenzonitrile IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-5-nitro-benzonitrile Formula: C18H14N4O2S MolecularWeight: 350.39436

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](N(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H14N4O2S/c19-11-12-10-13(22(23)24)7-8-15(12)21-9-3-5-16(21)18-20-14-4-1-2-6-17(14)25-18/h1-2,4,6-8,10,16H,3,5,9H2/t16-/m1/s1