N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H32N5O2S2+ MolecularWeight: 498.68388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4)[NH+]5CCOCC5

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4)[NH+]5CCOCC5

InChI

InChI=1S/C25H31N5O2S2/c31-22(26-19-25(11-5-2-6-12-25)29-13-15-32-16-14-29)18-34-24-28-27-23(21-10-7-17-33-21)30(24)20-8-3-1-4-9-20/h1,3-4,7-10,17H,2,5-6,11-16,18-19H2,(H,26,31)/p+1