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

Systemtic Name: 2-[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C17H21ClN4O2S MolecularWeight: 380.89224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC(=NN2)SCC(=O)N3CCCCC3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC(=NN2)SCC(=O)N3CCCCC3)Cl

InChI

InChI=1S/C17H21ClN4O2S/c1-12-9-13(5-6-14(12)18)24-10-15-19-17(21-20-15)25-11-16(23)22-7-3-2-4-8-22/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,19,20,21)