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

Systemtic Name: 1-(2-ethylpiperidin-1-yl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(2-ethyl-1-piperidyl)-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(2-ethyl-1-piperidinyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(2-ethylpiperidin-1-yl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(2-ethylpiperidino)-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C24H29N5O2S MolecularWeight: 451.58436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)SC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=NC=C4

Isomeric SMILES

CCC1CCCCN1C(=O)C(C)SC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=NC=C4

InChI

InChI=1S/C24H29N5O2S/c1-4-19-7-5-6-16-28(19)23(30)17(2)32-24-27-26-22(18-12-14-25-15-13-18)29(24)20-8-10-21(31-3)11-9-20/h8-15,17,19H,4-7,16H2,1-3H3