2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-5-nitro-benzonitrile CAS Name: 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-5-nitrobenzonitrile Traditional Name: 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-5-nitro-benzonitrile Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H14N4O2S/c1-11(17-19-14-5-3-4-6-16(14)24-17)20(2)15-8-7-13(21(22)23)9-12(15)10-18/h3-9,11H,1-2H3/t11-/m1/s1