1-(2-ethylpiperidin-1-yl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(2-ethylpiperidin-1-yl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(2-ethyl-1-piperidyl)-2-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(2-ethyl-1-piperidinyl)-2-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(2-ethylpiperidin-1-yl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(2-ethylpiperidino)-2-[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C21H30N4O2S2 MolecularWeight: 434.6185

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)SC2=NN=C(N2CC3CCCO3)C4=CC=CS4

Isomeric SMILES

CCC1CCCCN1C(=O)C(C)SC2=NN=C(N2CC3CCCO3)C4=CC=CS4

InChI

InChI=1S/C21H30N4O2S2/c1-3-16-8-4-5-11-24(16)20(26)15(2)29-21-23-22-19(18-10-7-13-28-18)25(21)14-17-9-6-12-27-17/h7,10,13,15-17H,3-6,8-9,11-12,14H2,1-2H3