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

Systemtic Name: 1-(4-methylpiperidin-1-yl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-methyl-1-piperidyl)-2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-methyl-1-piperidinyl)-2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-methylpiperidin-1-yl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-methylpiperidino)-2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

InChI

InChI=1S/C22H31N5OS/c1-18-10-14-26(15-11-18)21(28)17-29-22-24-23-20(16-25-12-6-3-7-13-25)27(22)19-8-4-2-5-9-19/h2,4-5,8-9,18H,3,6-7,10-17H2,1H3