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

Systemtic Name: 2-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C16H19ClN4OS MolecularWeight: 350.86626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NN=C2SCC(=O)N3CCCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NN=C2SCC(=O)N3CCCCC3)Cl

InChI

InChI=1S/C16H19ClN4OS/c1-12-5-6-13(9-14(12)17)21-11-18-19-16(21)23-10-15(22)20-7-3-2-4-8-20/h5-6,9,11H,2-4,7-8,10H2,1H3