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

Systemtic Name: 2-[[4-ethyl-5-(1-ethylindol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-ethyl-5-(1-ethylindol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-ethyl-5-(1-ethyl-3-indolyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-ethyl-5-(1-ethylindol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-ethyl-5-(1-ethylindol-3-yl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C3=NN=C(N3CC)SCC(=O)N4CCCCC4

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C3=NN=C(N3CC)SCC(=O)N4CCCCC4

InChI

InChI=1S/C21H27N5OS/c1-3-24-14-17(16-10-6-7-11-18(16)24)20-22-23-21(26(20)4-2)28-15-19(27)25-12-8-5-9-13-25/h6-7,10-11,14H,3-5,8-9,12-13,15H2,1-2H3