1,2,4,5-tetrahydro-3-benzothiepine-5-carbonitrile

Systemtic Name: 1,2,4,5-tetrahydro-3-benzothiepine-5-carbonitrile Openeye Name: 1,2,4,5-tetrahydro-3-benzothiepine-5-carbonitrile CAS Name: 1,2,4,5-tetrahydro-3-benzothiepin-5-carbonitrile IUPAC Name: 1,2,4,5-tetrahydro-3-benzothiepine-5-carbonitrile Traditional Name: 1,2,4,5-tetrahydro-3-benzothiepin-5-carbonitrile Formula: C11H11NS MolecularWeight: 189.27674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(C2=CC=CC=C21)C#N

Isomeric SMILES

C1CSCC(C2=CC=CC=C21)C#N

InChI

InChI=1S/C11H11NS/c12-7-10-8-13-6-5-9-3-1-2-4-11(9)10/h1-4,10H,5-6,8H2