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

Systemtic Name: 3-chloranyl-N-[[5-(2-morpholin-4-ylethylsulfanyl)-4-phenethyl-1,2,4-triazol-3-yl]methyl]aniline Openeye Name: 3-chloro-N-[[5-(2-morpholinoethylsulfanyl)-4-phenethyl-1,2,4-triazol-3-yl]methyl]aniline CAS Name: 3-chloro-N-[[5-[2-(4-morpholinyl)ethylthio]-4-phenethyl-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: 3-chloro-N-[[5-(2-morpholin-4-ylethylsulfanyl)-4-phenethyl-1,2,4-triazol-3-yl]methyl]aniline Traditional Name: (3-chlorophenyl)-[[5-(2-morpholinoethylthio)-4-phenethyl-1,2,4-triazol-3-yl]methyl]amine Formula: C23H28ClN5OS MolecularWeight: 458.01932

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCSC2=NN=C(N2CCC3=CC=CC=C3)CNC4=CC(=CC=C4)Cl

Isomeric SMILES

C1COCCN1CCSC2=NN=C(N2CCC3=CC=CC=C3)CNC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H28ClN5OS/c24-20-7-4-8-21(17-20)25-18-22-26-27-23(31-16-13-28-11-14-30-15-12-28)29(22)10-9-19-5-2-1-3-6-19/h1-8,17,25H,9-16,18H2