1-(2-ethylpiperidin-1-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(2-ethylpiperidin-1-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(2-ethyl-1-piperidyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(2-ethyl-1-piperidinyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(2-ethylpiperidin-1-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(2-ethylpiperidino)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)SC2=NNC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1CCCCN1C(=O)C(C)SC2=NNC(=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H26N4O2S/c1-4-15-7-5-6-12-23(15)18(24)13(2)26-19-20-17(21-22-19)14-8-10-16(25-3)11-9-14/h8-11,13,15H,4-7,12H2,1-3H3,(H,20,21,22)