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4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-nitro-benzenecarbonitrile

4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-nitro-benzenecarbonitrile

Systemtic Name:4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-nitro-benzenecarbonitrile
Openeye Name:4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-nitro-benzonitrile
CAS Name:4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-nitrobenzonitrile
IUPAC Name:4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-nitrobenzonitrile
Traditional Name:4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-nitro-benzonitrile
Formula: C16H12N4O2S
MolecularWeight: 324.35708
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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]


Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]


InChI

InChI=1S/C16H12N4O2S/c1-19(10-16-18-12-4-2-3-5-15(12)23-16)13-7-6-11(9-17)8-14(13)20(21)22/h2-8H,10H2,1H3


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