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

Systemtic Name: 2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide CAS Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Traditional Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Formula: C19H29N6O2S2+ MolecularWeight: 437.60256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CSC2=NN=C(N2N)C3=CC=CS3)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CSC2=NN=C(N2N)C3=CC=CS3)[NH+]4CCOCC4

InChI

InChI=1S/C19H28N6O2S2/c20-25-17(15-5-4-12-28-15)22-23-18(25)29-13-16(26)21-14-19(6-2-1-3-7-19)24-8-10-27-11-9-24/h4-5,12H,1-3,6-11,13-14,20H2,(H,21,26)/p+1