2,3,4,5-tetrahydro-1-benzothiepine-9-carbonitrile

Systemtic Name: 2,3,4,5-tetrahydro-1-benzothiepine-9-carbonitrile Openeye Name: 2,3,4,5-tetrahydro-1-benzothiepine-9-carbonitrile CAS Name: 2,3,4,5-tetrahydro-1-benzothiepin-9-carbonitrile IUPAC Name: 2,3,4,5-tetrahydro-1-benzothiepine-9-carbonitrile Traditional Name: 2,3,4,5-tetrahydro-1-benzothiepin-9-carbonitrile Formula: C11H11NS MolecularWeight: 189.27674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCSC2=C(C=CC=C2C1)C#N

Isomeric SMILES

C1CCSC2=C(C=CC=C2C1)C#N

InChI

InChI=1S/C11H11NS/c12-8-10-6-3-5-9-4-1-2-7-13-11(9)10/h3,5-6H,1-2,4,7H2