1-(2-ethylpiperidin-1-yl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(2-ethylpiperidin-1-yl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(2-ethyl-1-piperidyl)-2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2-ethyl-1-piperidinyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2-ethylpiperidin-1-yl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(2-ethylpiperidino)-2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C24H30N4OS2 MolecularWeight: 454.6512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

CCC1CCCCN1C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C24H30N4OS2/c1-2-20-11-6-7-14-27(20)23(29)18-31-24-26-25-22(17-21-12-8-16-30-21)28(24)15-13-19-9-4-3-5-10-19/h3-5,8-10,12,16,20H,2,6-7,11,13-15,17-18H2,1H3