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

Systemtic Name: 2-[[4-ethyl-5-(1-ethylindol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[[4-ethyl-5-(1-ethylindol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[4-ethyl-5-(1-ethyl-3-indolyl)-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[[4-ethyl-5-(1-ethylindol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[4-ethyl-5-(1-ethylindol-3-yl)-1,2,4-triazol-3-yl]thio]-1-(4-methylpiperidino)ethanone Formula: C22H29N5OS MolecularWeight: 411.56356

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C3=NN=C(N3CC)SCC(=O)N4CCC(CC4)C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C3=NN=C(N3CC)SCC(=O)N4CCC(CC4)C

InChI

InChI=1S/C22H29N5OS/c1-4-25-14-18(17-8-6-7-9-19(17)25)21-23-24-22(27(21)5-2)29-15-20(28)26-12-10-16(3)11-13-26/h6-9,14,16H,4-5,10-13,15H2,1-3H3