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2-(1,3-benzothiazol-3-ium-3-ylmethyl)benzenecarbonitrile

2-(1,3-benzothiazol-3-ium-3-ylmethyl)benzenecarbonitrile

Systemtic Name:2-(1,3-benzothiazol-3-ium-3-ylmethyl)benzenecarbonitrile
Openeye Name:2-(1,3-benzothiazol-3-ium-3-ylmethyl)benzonitrile
CAS Name:2-(1,3-benzothiazol-3-ium-3-ylmethyl)benzonitrile
IUPAC Name:2-(1,3-benzothiazol-3-ium-3-ylmethyl)benzonitrile
Traditional Name:2-(1,3-benzothiazol-3-ium-3-ylmethyl)benzonitrile
Formula: C15H11N2S+
MolecularWeight: 251.32624
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[N+]2=CSC3=CC=CC=C32)C#N


Isomeric SMILES

C1=CC=C(C(=C1)C[N+]2=CSC3=CC=CC=C32)C#N


InChI

InChI=1S/C15H11N2S/c16-9-12-5-1-2-6-13(12)10-17-11-18-15-8-4-3-7-14(15)17/h1-8,11H,10H2/q+1


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