2-[[5-(2-chloranyl-4-methyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[5-(2-chloranyl-4-methyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-(2-chloro-4-methyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(2-chloro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-(2-chloro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-(2-chloro-4-methyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C22H23ClN4OS MolecularWeight: 426.96222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCCCC4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCCCC4)Cl

InChI

InChI=1S/C22H23ClN4OS/c1-16-10-11-18(19(23)14-16)21-24-25-22(27(21)17-8-4-2-5-9-17)29-15-20(28)26-12-6-3-7-13-26/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3