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4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzenecarbonitrile

4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzenecarbonitrile

Systemtic Name:4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzenecarbonitrile
Openeye Name:4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-benzonitrile
CAS Name:4-(1,3-benzothiazol-2-ylthio)-3-nitrobenzonitrile
IUPAC Name:4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrobenzonitrile
Traditional Name:4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzonitrile
Formula: C14H7N3O2S2
MolecularWeight: 313.35428
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]


InChI

InChI=1S/C14H7N3O2S2/c15-8-9-5-6-13(11(7-9)17(18)19)21-14-16-10-3-1-2-4-12(10)20-14/h1-7H


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