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

Systemtic Name: N-(4,5-diethyl-2-thianthren-5-ium-5-yl-phenyl)ethanamide perchlorate Openeye Name: N-(4,5-diethyl-2-thianthren-5-ium-5-yl-phenyl)acetamide perchlorate CAS Name: N-[4,5-diethyl-2-(5-thianthren-5-iumyl)phenyl]acetamide perchlorate IUPAC Name: N-(4,5-diethyl-2-thianthren-5-ium-5-ylphenyl)acetamide perchlorate Traditional Name: N-(4,5-diethyl-2-thianthren-5-ium-5-yl-phenyl)acetamide perchlorate Formula: C24H24ClNO5S2 MolecularWeight: 506.03406

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1CC)[S+]2C3=CC=CC=C3SC4=CC=CC=C42)NC(=O)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCC1=CC(=C(C=C1CC)[S+]2C3=CC=CC=C3SC4=CC=CC=C42)NC(=O)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C24H23NOS2.ClHO4/c1-4-17-14-19(25-16(3)26)24(15-18(17)5-2)28-22-12-8-6-10-20(22)27-21-11-7-9-13-23(21)28;2-1(3,4)5/h6-15H,4-5H2,1-3H3;(H,2,3,4,5)