5-[3-(dimethylamino)prop-1-ynyl]-3-methyl-6H-benzo[b][1]benzothiepin-5-ol

Systemtic Name: 5-[3-(dimethylamino)prop-1-ynyl]-3-methyl-6H-benzo[b][1]benzothiepin-5-ol Openeye Name: 5-[3-(dimethylamino)prop-1-ynyl]-3-methyl-6H-benzo[b][1]benzothiepin-5-ol CAS Name: 5-[3-(dimethylamino)prop-1-ynyl]-3-methyl-6H-benzo[b][1]benzothiepin-5-ol IUPAC Name: 5-[3-(dimethylamino)prop-1-ynyl]-3-methyl-6H-benzo[b][1]benzothiepin-5-ol Traditional Name: 5-[3-(dimethylamino)prop-1-ynyl]-3-methyl-6H-benzo[b][1]benzothiepin-5-ol Formula: C20H21NOS MolecularWeight: 323.45184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=CC=CC=C3CC2(C#CCN(C)C)O

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=CC=CC=C3CC2(C#CCN(C)C)O

InChI

InChI=1S/C20H21NOS/c1-15-9-10-19-17(13-15)20(22,11-6-12-21(2)3)14-16-7-4-5-8-18(16)23-19/h4-5,7-10,13,22H,12,14H2,1-3H3