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

Systemtic Name: 2-[[5-(1-ethylindol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[[5-(1-ethylindol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[5-(1-ethyl-3-indolyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[[5-(1-ethylindol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[5-(1-ethylindol-3-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-methylpiperidino)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(N3C)SCC(=O)N4CCC(CC4)C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C3=NN=C(N3C)SCC(=O)N4CCC(CC4)C

InChI

InChI=1S/C21H27N5OS/c1-4-25-13-17(16-7-5-6-8-18(16)25)20-22-23-21(24(20)3)28-14-19(27)26-11-9-15(2)10-12-26/h5-8,13,15H,4,9-12,14H2,1-3H3