3-(3-methyl-6,7-dihydro-5H-1,4-dithiepin-2-yl)benzenecarbonitrile

Systemtic Name: 3-(3-methyl-6,7-dihydro-5H-1,4-dithiepin-2-yl)benzenecarbonitrile Openeye Name: 3-(3-methyl-6,7-dihydro-5H-1,4-dithiepin-2-yl)benzonitrile CAS Name: 3-(3-methyl-6,7-dihydro-5H-1,4-dithiepin-2-yl)benzonitrile IUPAC Name: 3-(3-methyl-6,7-dihydro-5H-1,4-dithiepin-2-yl)benzonitrile Traditional Name: 3-(3-methyl-6,7-dihydro-5H-1,4-dithiepin-2-yl)benzonitrile Formula: C13H13NS2 MolecularWeight: 247.37902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(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/h2,4-5,8H,3,6-7H2,1H3