5-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzothiepine-5-carbonitrile

Systemtic Name: 5-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzothiepine-5-carbonitrile Openeye Name: 5-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzothiepine-5-carbonitrile CAS Name: 5-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzothiepin-5-carbonitrile IUPAC Name: 5-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzothiepine-5-carbonitrile Traditional Name: 5-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzothiepin-5-carbonitrile Formula: C20H22N2S MolecularWeight: 322.46708

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1(CC2=CC=CC=C2SC3=CC=CC=C31)C#N

Isomeric SMILES

CN(C)CCCC1(CC2=CC=CC=C2SC3=CC=CC=C31)C#N

InChI

InChI=1S/C20H22N2S/c1-22(2)13-7-12-20(15-21)14-16-8-3-5-10-18(16)23-19-11-6-4-9-17(19)20/h3-6,8-11H,7,12-14H2,1-2H3