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

Systemtic Name: 3-chloranyl-N-[[4-phenyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]aniline Openeye Name: 3-chloro-N-[[4-phenyl-5-[2-(1-piperidyl)ethylsulfanyl]-1,2,4-triazol-3-yl]methyl]aniline CAS Name: 3-chloro-N-[[4-phenyl-5-[2-(1-piperidinyl)ethylthio]-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: 3-chloro-N-[[4-phenyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]aniline Traditional Name: (3-chlorophenyl)-[[4-phenyl-5-(2-piperidinoethylthio)-1,2,4-triazol-3-yl]methyl]amine Formula: C22H26ClN5S MolecularWeight: 427.99334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCN(CC1)CCSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H26ClN5S/c23-18-8-7-9-19(16-18)24-17-21-25-26-22(28(21)20-10-3-1-4-11-20)29-15-14-27-12-5-2-6-13-27/h1,3-4,7-11,16,24H,2,5-6,12-15,17H2