3-[2-(1-azanylcyclohexyl)ethynyl]thioxanthen-9-one

Systemtic Name: 3-[2-(1-azanylcyclohexyl)ethynyl]thioxanthen-9-one Openeye Name: 3-[2-(1-aminocyclohexyl)ethynyl]thioxanthen-9-one CAS Name: 3-[2-(1-aminocyclohexyl)ethynyl]-9-thioxanthenone IUPAC Name: 3-[2-(1-aminocyclohexyl)ethynyl]thioxanthen-9-one Traditional Name: 3-[2-(1-aminocyclohexyl)ethynyl]thioxanthen-9-one Formula: C21H19NOS MolecularWeight: 333.44666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3)N

Isomeric SMILES

C1CCC(CC1)(C#CC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3)N

InChI

InChI=1S/C21H19NOS/c22-21(11-4-1-5-12-21)13-10-15-8-9-17-19(14-15)24-18-7-3-2-6-16(18)20(17)23/h2-3,6-9,14H,1,4-5,11-12,22H2