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

Systemtic Name: 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(1,2-benzothiazol-3-yl)piperazino]-5-nitro-benzonitrile Formula: C18H15N5O2S MolecularWeight: 365.409

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C18H15N5O2S/c19-12-13-11-14(23(24)25)5-6-16(13)21-7-9-22(10-8-21)18-15-3-1-2-4-17(15)26-20-18/h1-6,11H,7-10H2