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3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]benzenecarbonitrile

3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name:3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]benzenecarbonitrile
Openeye Name:3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]benzonitrile
CAS Name:3-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]benzonitrile
IUPAC Name:3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]benzonitrile
Traditional Name:3-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]benzonitrile
Formula: C15H9N3O2S2
MolecularWeight: 327.38086
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C#N


Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C#N


InChI

InChI=1S/C15H9N3O2S2/c16-8-10-2-1-3-11(6-10)9-21-15-17-13-5-4-12(18(19)20)7-14(13)22-15/h1-7H,9H2


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