2-[5-(cyanomethyl)-3-methoxy-benzo[b][1]benzothiepin-6-yl]ethanenitrile

Systemtic Name: 2-[5-(cyanomethyl)-3-methoxy-benzo[b][1]benzothiepin-6-yl]ethanenitrile Openeye Name: 2-[5-(cyanomethyl)-3-methoxy-benzo[b][1]benzothiepin-6-yl]acetonitrile CAS Name: 2-[5-(cyanomethyl)-3-methoxy-6-benzo[b][1]benzothiepinyl]acetonitrile IUPAC Name: 2-[5-(cyanomethyl)-3-methoxybenzo[b][1]benzothiepin-6-yl]acetonitrile Traditional Name: 2-[5-(cyanomethyl)-3-methoxy-benzo[b][1]benzothiepin-6-yl]acetonitrile Formula: C19H14N2OS MolecularWeight: 318.39226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC3=CC=CC=C3C(=C2CC#N)CC#N

Isomeric SMILES

COC1=CC2=C(C=C1)SC3=CC=CC=C3C(=C2CC#N)CC#N

InChI

InChI=1S/C19H14N2OS/c1-22-13-6-7-19-17(12-13)15(9-11-21)14(8-10-20)16-4-2-3-5-18(16)23-19/h2-7,12H,8-9H2,1H3