4-(3-sulfanylphenyl)oxane-4-carbonitrile

Systemtic Name: 4-(3-sulfanylphenyl)oxane-4-carbonitrile Openeye Name: 4-(3-sulfanylphenyl)tetrahydropyran-4-carbonitrile CAS Name: 4-(3-mercaptophenyl)-4-oxanecarbonitrile IUPAC Name: 4-(3-sulfanylphenyl)oxane-4-carbonitrile Traditional Name: 4-(3-mercaptophenyl)tetrahydropyran-4-carbonitrile Formula: C12H13NOS MolecularWeight: 219.30272

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C#N)C2=CC(=CC=C2)S

Isomeric SMILES

C1COCCC1(C#N)C2=CC(=CC=C2)S

InChI

InChI=1S/C12H13NOS/c13-9-12(4-6-14-7-5-12)10-2-1-3-11(15)8-10/h1-3,8,15H,4-7H2