N-[4-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]benzamide

Systemtic Name: N-[4-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]benzamide Openeye Name: N-[4-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]benzamide CAS Name: N-[4-[4-methyl-5-[2-(4-morpholin-4-iumyl)ethylthio]-1,2,4-triazol-3-yl]phenyl]benzamide IUPAC Name: N-[4-[4-methyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]benzamide Traditional Name: N-[4-[4-methyl-5-(2-morpholin-4-ium-4-ylethylthio)-1,2,4-triazol-3-yl]phenyl]benzamide Formula: C22H26N5O2S+ MolecularWeight: 424.53914

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+]2CCOCC2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC[NH+]2CCOCC2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2S/c1-26-20(24-25-22(26)30-16-13-27-11-14-29-15-12-27)17-7-9-19(10-8-17)23-21(28)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,23,28)/p+1