2-(2,2-dimethyl-3,5-dihydro-1,5-benzothiazepin-4-ylidene)propanenitrile

Systemtic Name: 2-(2,2-dimethyl-3,5-dihydro-1,5-benzothiazepin-4-ylidene)propanenitrile Openeye Name: 2-(2,2-dimethyl-3,5-dihydro-1,5-benzothiazepin-4-ylidene)propanenitrile CAS Name: 2-(2,2-dimethyl-3,5-dihydro-1,5-benzothiazepin-4-ylidene)propanenitrile IUPAC Name: 2-(2,2-dimethyl-3,5-dihydro-1,5-benzothiazepin-4-ylidene)propanenitrile Traditional Name: 2-(2,2-dimethyl-3,5-dihydro-1,5-benzothiazepin-4-ylidene)propionitrile Formula: C14H16N2S MolecularWeight: 244.35524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1CC(SC2=CC=CC=C2N1)(C)C)C#N

Isomeric SMILES

CC(=C1CC(SC2=CC=CC=C2N1)(C)C)C#N

InChI

InChI=1S/C14H16N2S/c1-10(9-15)12-8-14(2,3)17-13-7-5-4-6-11(13)16-12/h4-7,16H,8H2,1-3H3