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

Systemtic Name: N-methyl-2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: N-methyl-2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-methyl-2-[[5-(4-morpholin-4-iumylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: N-methyl-2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: N-methyl-2-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C22H26N5O2S+ MolecularWeight: 424.53914

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C[NH+]4CCOCC4

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C[NH+]4CCOCC4

InChI

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