5-oxidanylidene-3,4-dihydro-2H-1-benzothiepine-8-carbonitrile

Systemtic Name: 5-oxidanylidene-3,4-dihydro-2H-1-benzothiepine-8-carbonitrile Openeye Name: 5-oxo-3,4-dihydro-2H-1-benzothiepine-8-carbonitrile CAS Name: 5-oxo-3,4-dihydro-2H-1-benzothiepin-8-carbonitrile IUPAC Name: 5-oxo-3,4-dihydro-2H-1-benzothiepine-8-carbonitrile Traditional Name: 5-keto-3,4-dihydro-2H-1-benzothiepin-8-carbonitrile Formula: C11H9NOS MolecularWeight: 203.26026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C2=C(C=C(C=C2)C#N)SC1

Isomeric SMILES

C1CC(=O)C2=C(C=C(C=C2)C#N)SC1

InChI

InChI=1S/C11H9NOS/c12-7-8-3-4-9-10(13)2-1-5-14-11(9)6-8/h3-4,6H,1-2,5H2