N-(4-ethyl-5-methyl-2-thianthren-5-ium-5-yl-phenyl)ethanamide perchlorate

Systemtic Name: N-(4-ethyl-5-methyl-2-thianthren-5-ium-5-yl-phenyl)ethanamide perchlorate Openeye Name: N-(4-ethyl-5-methyl-2-thianthren-5-ium-5-yl-phenyl)acetamide perchlorate CAS Name: N-[4-ethyl-5-methyl-2-(5-thianthren-5-iumyl)phenyl]acetamide perchlorate IUPAC Name: N-(4-ethyl-5-methyl-2-thianthren-5-ium-5-ylphenyl)acetamide perchlorate Traditional Name: N-(4-ethyl-5-methyl-2-thianthren-5-ium-5-yl-phenyl)acetamide perchlorate Formula: C23H22ClNO5S2 MolecularWeight: 492.00748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C)NC(=O)C)[S+]2C3=CC=CC=C3SC4=CC=CC=C42.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCC1=CC(=C(C=C1C)NC(=O)C)[S+]2C3=CC=CC=C3SC4=CC=CC=C42.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C23H21NOS2.ClHO4/c1-4-17-14-23(18(13-15(17)2)24-16(3)25)27-21-11-7-5-9-19(21)26-20-10-6-8-12-22(20)27;2-1(3,4)5/h5-14H,4H2,1-3H3;(H,2,3,4,5)