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

Systemtic Name: 3-chloranyl-5-[3-(dimethylamino)prop-1-ynyl]-6H-benzo[b][1]benzothiepin-5-ol Openeye Name: 3-chloro-5-[3-(dimethylamino)prop-1-ynyl]-6H-benzo[b][1]benzothiepin-5-ol CAS Name: 3-chloro-5-[3-(dimethylamino)prop-1-ynyl]-6H-benzo[b][1]benzothiepin-5-ol IUPAC Name: 3-chloro-5-[3-(dimethylamino)prop-1-ynyl]-6H-benzo[b][1]benzothiepin-5-ol Traditional Name: 3-chloro-5-[3-(dimethylamino)prop-1-ynyl]-6H-benzo[b][1]benzothiepin-5-ol Formula: C19H18ClNOS MolecularWeight: 343.87032

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC#CC1(CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl)O

Isomeric SMILES

CN(C)CC#CC1(CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl)O

InChI

InChI=1S/C19H18ClNOS/c1-21(2)11-5-10-19(22)13-14-6-3-4-7-17(14)23-18-9-8-15(20)12-16(18)19/h3-4,6-9,12,22H,11,13H2,1-2H3