[3-(4-chlorophenyl)-5-hexylsulfanyl-1,2,4-triazol-1-yl]-piperidin-1-yl-methanone

Systemtic Name: [3-(4-chlorophenyl)-5-hexylsulfanyl-1,2,4-triazol-1-yl]-piperidin-1-yl-methanone Openeye Name: [3-(4-chlorophenyl)-5-hexylsulfanyl-1,2,4-triazol-1-yl]-(1-piperidyl)methanone CAS Name: [3-(4-chlorophenyl)-5-(hexylthio)-1,2,4-triazol-1-yl]-(1-piperidinyl)methanone IUPAC Name: [3-(4-chlorophenyl)-5-hexylsulfanyl-1,2,4-triazol-1-yl]-piperidin-1-ylmethanone Traditional Name: [3-(4-chlorophenyl)-5-(hexylthio)-1,2,4-triazol-1-yl]-piperidino-methanone Formula: C20H27ClN4OS MolecularWeight: 406.97258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=NN1C(=O)N2CCCCC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCSC1=NC(=NN1C(=O)N2CCCCC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H27ClN4OS/c1-2-3-4-8-15-27-19-22-18(16-9-11-17(21)12-10-16)23-25(19)20(26)24-13-6-5-7-14-24/h9-12H,2-8,13-15H2,1H3