2-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]-5-nitro-benzonitrile Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H19N5O2S/c1-14(20-22-17-4-2-3-5-19(17)28-20)23-8-10-24(11-9-23)18-7-6-16(25(26)27)12-15(18)13-21/h2-7,12,14H,8-11H2,1H3