2-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)propanedinitrile

Systemtic Name: 2-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)propanedinitrile Openeye Name: 2-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)propanedinitrile CAS Name: 2-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)propanedinitrile IUPAC Name: 2-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)propanedinitrile Traditional Name: 2-(3,4-dihydro-2H-1-benzothiepin-5-ylidene)malononitrile Formula: C13H10N2S MolecularWeight: 226.2969

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C#N)C#N)C2=CC=CC=C2SC1

Isomeric SMILES

C1CC(=C(C#N)C#N)C2=CC=CC=C2SC1

InChI

InChI=1S/C13H10N2S/c14-8-10(9-15)11-5-3-7-16-13-6-2-1-4-12(11)13/h1-2,4,6H,3,5,7H2