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

Systemtic Name: 2-[[5-(1-ethylindol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-(1-ethylindol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(1-ethyl-3-indolyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-(1-ethylindol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-(1-ethylindol-3-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C3=NN=C(N3C)SCC(=O)N4CCCCC4

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C3=NN=C(N3C)SCC(=O)N4CCCCC4

InChI

InChI=1S/C20H25N5OS/c1-3-24-13-16(15-9-5-6-10-17(15)24)19-21-22-20(23(19)2)27-14-18(26)25-11-7-4-8-12-25/h5-6,9-10,13H,3-4,7-8,11-12,14H2,1-2H3