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

Systemtic Name: 2-[[1-(3-chloranyl-4-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[1-(3-chloro-4-methyl-phenyl)tetrazol-5-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[1-(3-chloro-4-methylphenyl)-5-tetrazolyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[1-(3-chloro-4-methyl-phenyl)tetrazol-5-yl]thio]-1-piperidino-ethanone Formula: C15H18ClN5OS MolecularWeight: 351.85432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)N3CCCCC3)Cl

InChI

InChI=1S/C15H18ClN5OS/c1-11-5-6-12(9-13(11)16)21-15(17-18-19-21)23-10-14(22)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8,10H2,1H3