2-[[4-(2-ethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[4-(2-ethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-(2-ethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-(2-ethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-(2-ethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-(2-ethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCCCC3)C4=CN=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCCCC3)C4=CN=CC=C4

InChI

InChI=1S/C22H25N5OS/c1-2-17-9-4-5-11-19(17)27-21(18-10-8-12-23-15-18)24-25-22(27)29-16-20(28)26-13-6-3-7-14-26/h4-5,8-12,15H,2-3,6-7,13-14,16H2,1H3