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

Systemtic Name: 3-nitro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 3-nitro-4-(4-thiazol-2-ylpiperazin-1-yl)benzonitrile CAS Name: 3-nitro-4-[4-(2-thiazolyl)-1-piperazinyl]benzonitrile IUPAC Name: 3-nitro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzonitrile Traditional Name: 3-nitro-4-(4-thiazol-2-ylpiperazino)benzonitrile Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3=NC=CS3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3=NC=CS3

InChI

InChI=1S/C14H13N5O2S/c15-10-11-1-2-12(13(9-11)19(20)21)17-4-6-18(7-5-17)14-16-3-8-22-14/h1-3,8-9H,4-7H2