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

Systemtic Name: 2-[3-bromanyl-5-(cyanomethyl)benzo[b][1]benzothiepin-6-yl]ethanenitrile Openeye Name: 2-[3-bromo-5-(cyanomethyl)benzo[b][1]benzothiepin-6-yl]acetonitrile CAS Name: 2-[3-bromo-5-(cyanomethyl)-6-benzo[b][1]benzothiepinyl]acetonitrile IUPAC Name: 2-[3-bromo-5-(cyanomethyl)benzo[b][1]benzothiepin-6-yl]acetonitrile Traditional Name: 2-[3-bromo-5-(cyanomethyl)benzo[b][1]benzothiepin-6-yl]acetonitrile Formula: C18H11BrN2S MolecularWeight: 367.26234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C3=C(S2)C=CC(=C3)Br)CC#N)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C3=C(S2)C=CC(=C3)Br)CC#N)CC#N

InChI

InChI=1S/C18H11BrN2S/c19-12-5-6-18-16(11-12)14(8-10-21)13(7-9-20)15-3-1-2-4-17(15)22-18/h1-6,11H,7-8H2