5,6-bis(bromomethyl)benzo[b][1]benzothiepine-3-carbonitrile

Systemtic Name: 5,6-bis(bromomethyl)benzo[b][1]benzothiepine-3-carbonitrile Openeye Name: 5,6-bis(bromomethyl)benzo[b][1]benzothiepine-3-carbonitrile CAS Name: 5,6-bis(bromomethyl)-3-benzo[b][1]benzothiepincarbonitrile IUPAC Name: 5,6-bis(bromomethyl)benzo[b][1]benzothiepine-3-carbonitrile Traditional Name: 5,6-bis(bromomethyl)benzo[b][1]benzothiepin-3-carbonitrile Formula: C17H11Br2NS MolecularWeight: 421.14894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11Br2NS/c18-8-14-12-3-1-2-4-16(12)21-17-6-5-11(10-20)7-13(17)15(14)9-19/h1-7H,8-9H2