4-[(2-methyl-1,3-dithian-2-yl)-oxidanyl-methyl]benzenecarbonitrile

Systemtic Name: 4-[(2-methyl-1,3-dithian-2-yl)-oxidanyl-methyl]benzenecarbonitrile Openeye Name: 4-[hydroxy-(2-methyl-1,3-dithian-2-yl)methyl]benzonitrile CAS Name: 4-[hydroxy-(2-methyl-1,3-dithian-2-yl)methyl]benzonitrile IUPAC Name: 4-[hydroxy-(2-methyl-1,3-dithian-2-yl)methyl]benzonitrile Traditional Name: 4-[hydroxy-(2-methyl-1,3-dithian-2-yl)methyl]benzonitrile Formula: C13H15NOS2 MolecularWeight: 265.3943

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Descriptors Computed from Structure

Canonical SMILES:

CC1(SCCCS1)C(C2=CC=C(C=C2)C#N)O

Isomeric SMILES

CC1(SCCCS1)C(C2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C13H15NOS2/c1-13(16-7-2-8-17-13)12(15)11-5-3-10(9-14)4-6-11/h3-6,12,15H,2,7-8H2,1H3