1-methoxy-7-[3-(methylamino)but-1-ynyl]thioxanthen-9-one

Systemtic Name: 1-methoxy-7-[3-(methylamino)but-1-ynyl]thioxanthen-9-one Openeye Name: 1-methoxy-7-[3-(methylamino)but-1-ynyl]thioxanthen-9-one CAS Name: 1-methoxy-7-[3-(methylamino)but-1-ynyl]-9-thioxanthenone IUPAC Name: 1-methoxy-7-[3-(methylamino)but-1-ynyl]thioxanthen-9-one Traditional Name: 1-methoxy-7-[3-(methylamino)but-1-ynyl]thioxanthen-9-one Formula: C19H17NO2S MolecularWeight: 323.40878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC2=C(C=C1)SC3=CC=CC(=C3C2=O)OC)NC

Isomeric SMILES

CC(C#CC1=CC2=C(C=C1)SC3=CC=CC(=C3C2=O)OC)NC

InChI

InChI=1S/C19H17NO2S/c1-12(20-2)7-8-13-9-10-16-14(11-13)19(21)18-15(22-3)5-4-6-17(18)23-16/h4-6,9-12,20H,1-3H3