2-[5-(cyanomethyl)benzo[b][1]benzothiepin-6-yl]ethanenitrile

Systemtic Name: 2-[5-(cyanomethyl)benzo[b][1]benzothiepin-6-yl]ethanenitrile Openeye Name: 2-[5-(cyanomethyl)benzo[b][1]benzothiepin-6-yl]acetonitrile CAS Name: 2-[5-(cyanomethyl)-6-benzo[b][1]benzothiepinyl]acetonitrile IUPAC Name: 2-[5-(cyanomethyl)benzo[b][1]benzothiepin-6-yl]acetonitrile Traditional Name: 2-[5-(cyanomethyl)benzo[b][1]benzothiepin-6-yl]acetonitrile Formula: C18H12N2S MolecularWeight: 288.36628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C3=CC=CC=C3S2)CC#N)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C3=CC=CC=C3S2)CC#N)CC#N

InChI

InChI=1S/C18H12N2S/c19-11-9-13-14(10-12-20)16-6-2-4-8-18(16)21-17-7-3-1-5-15(13)17/h1-8H,9-10H2