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

Systemtic Name: 2-(3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)propanenitrile Openeye Name: 2-(3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)propanenitrile CAS Name: 2-(3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)propanenitrile IUPAC Name: 2-(3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)propanenitrile Traditional Name: 2-(3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)propionitrile Formula: C12H12N2S MolecularWeight: 216.30208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C1CCSC2=CC=CC=C2N1)C#N

Isomeric SMILES

CC(=C1CCSC2=CC=CC=C2N1)C#N

InChI

InChI=1S/C12H12N2S/c1-9(8-13)10-6-7-15-12-5-3-2-4-11(12)14-10/h2-5,14H,6-7H2,1H3