3-sulfanylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile

Systemtic Name: 3-sulfanylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile Openeye Name: 3-sulfanylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile CAS Name: 3-mercapto-7-bicyclo[4.2.0]octa-1(6),2,4-trienecarbonitrile IUPAC Name: 3-sulfanylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile Traditional Name: 3-mercaptobicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile Formula: C9H7NS MolecularWeight: 161.22358

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C1C=C(C=C2)S)C#N

Isomeric SMILES

C1C(C2=C1C=C(C=C2)S)C#N

InChI

InChI=1S/C9H7NS/c10-5-7-3-6-4-8(11)1-2-9(6)7/h1-2,4,7,11H,3H2