N-(4,5-diethyl-2-thianthren-5-ium-5-yl-phenyl)-N-methyl-ethanamide

Systemtic Name: N-(4,5-diethyl-2-thianthren-5-ium-5-yl-phenyl)-N-methyl-ethanamide Openeye Name: N-(4,5-diethyl-2-thianthren-5-ium-5-yl-phenyl)-N-methyl-acetamide CAS Name: N-[4,5-diethyl-2-(5-thianthren-5-iumyl)phenyl]-N-methylacetamide IUPAC Name: N-(4,5-diethyl-2-thianthren-5-ium-5-ylphenyl)-N-methylacetamide Traditional Name: N-(4,5-diethyl-2-thianthren-5-ium-5-yl-phenyl)-N-methyl-acetamide Formula: C25H26NOS2+ MolecularWeight: 420.61004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1CC)[S+]2C3=CC=CC=C3SC4=CC=CC=C42)N(C)C(=O)C

Isomeric SMILES

CCC1=CC(=C(C=C1CC)[S+]2C3=CC=CC=C3SC4=CC=CC=C42)N(C)C(=O)C

InChI

InChI=1S/C25H26NOS2/c1-5-18-15-20(26(4)17(3)27)25(16-19(18)6-2)29-23-13-9-7-11-21(23)28-22-12-8-10-14-24(22)29/h7-16H,5-6H2,1-4H3/q+1