cyclohexyl-methyl-[[2-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanoylamino]phenyl]methyl]azanium

Systemtic Name: cyclohexyl-methyl-[[2-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanoylamino]phenyl]methyl]azanium Openeye Name: cyclohexyl-methyl-[[2-[[2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]phenyl]methyl]ammonium CAS Name: cyclohexyl-methyl-[[2-[[1-oxo-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]amino]phenyl]methyl]ammonium IUPAC Name: cyclohexyl-methyl-[[2-[[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetyl]amino]phenyl]methyl]azanium Traditional Name: cyclohexyl-methyl-[2-[[2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]benzyl]ammonium Formula: C22H28N5OS2+ MolecularWeight: 442.62062

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1NC(=O)CN2C(=NNC2=S)C3=CC=CS3)C4CCCCC4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1NC(=O)CN2C(=NNC2=S)C3=CC=CS3)C4CCCCC4

InChI

InChI=1S/C22H27N5OS2/c1-26(17-9-3-2-4-10-17)14-16-8-5-6-11-18(16)23-20(28)15-27-21(24-25-22(27)29)19-12-7-13-30-19/h5-8,11-13,17H,2-4,9-10,14-15H2,1H3,(H,23,28)(H,25,29)/p+1