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

Systemtic Name: 5-[3-(dimethylamino)prop-1-ynyl]-3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-ol Openeye Name: 5-[3-(dimethylamino)prop-1-ynyl]-3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-ol CAS Name: 5-[3-(dimethylamino)prop-1-ynyl]-3-(methylthio)-6H-benzo[b][1]benzothiepin-5-ol IUPAC Name: 5-[3-(dimethylamino)prop-1-ynyl]-3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-ol Traditional Name: 5-[3-(dimethylamino)prop-1-ynyl]-3-(methylthio)-6H-benzo[b][1]benzothiepin-5-ol Formula: C20H21NOS2 MolecularWeight: 355.51684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NOS2/c1-21(2)12-6-11-20(22)14-15-7-4-5-8-18(15)24-19-10-9-16(23-3)13-17(19)20/h4-5,7-10,13,22H,12,14H2,1-3H3