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

Systemtic Name: 4-chloranyl-N-[[5-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline Openeye Name: 4-chloro-N-[[5-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline CAS Name: 4-chloro-N-[[5-[2-(4-morpholin-4-iumyl)ethylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: 4-chloro-N-[[5-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline Traditional Name: (4-chlorophenyl)-[[5-(2-morpholin-4-ium-4-ylethylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]amine Formula: C21H25ClN5OS+ MolecularWeight: 430.9741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCC[NH+]1CCSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H24ClN5OS/c22-17-6-8-18(9-7-17)23-16-20-24-25-21(27(20)19-4-2-1-3-5-19)29-15-12-26-10-13-28-14-11-26/h1-9,23H,10-16H2/p+1