3-(3-methylidene-1,4-dithiepan-2-yl)benzenecarbonitrile

Systemtic Name: 3-(3-methylidene-1,4-dithiepan-2-yl)benzenecarbonitrile Openeye Name: 3-(3-methylene-1,4-dithiepan-2-yl)benzonitrile CAS Name: 3-(3-methylene-1,4-dithiepan-2-yl)benzonitrile IUPAC Name: 3-(3-methylidene-1,4-dithiepan-2-yl)benzonitrile Traditional Name: 3-(3-methylene-1,4-dithiepan-2-yl)benzonitrile Formula: C13H13NS2 MolecularWeight: 247.37902

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(SCCCS1)C2=CC=CC(=C2)C#N

Isomeric SMILES

C=C1C(SCCCS1)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H13NS2/c1-10-13(16-7-3-6-15-10)12-5-2-4-11(8-12)9-14/h2,4-5,8,13H,1,3,6-7H2