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3-(1-oxidanylidenethian-2-yl)benzenecarbonitrile

3-(1-oxidanylidenethian-2-yl)benzenecarbonitrile

Systemtic Name:3-(1-oxidanylidenethian-2-yl)benzenecarbonitrile
Openeye Name:3-(1-oxothian-2-yl)benzonitrile
CAS Name:3-(1-oxo-2-thianyl)benzonitrile
IUPAC Name:3-(1-oxothian-2-yl)benzonitrile
Traditional Name:3-(1-ketothian-2-yl)benzonitrile
Formula: C12H13NOS
MolecularWeight: 219.30272
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Descriptors Computed from Structure

Canonical SMILES:

C1CCS(=O)C(C1)C2=CC=CC(=C2)C#N


Isomeric SMILES

C1CCS(=O)C(C1)C2=CC=CC(=C2)C#N


InChI

InChI=1S/C12H13NOS/c13-9-10-4-3-5-11(8-10)12-6-1-2-7-15(12)14/h3-5,8,12H,1-2,6-7H2


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