2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-ethyl-1-piperidyl]ethanone CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-[(2S)-2-ethyl-1-piperidinyl]ethanone IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-[(2S)-2-ethylpiperidino]ethanone Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c1-2-19-13-9-10-16-26(19)21(28)17-29-23-25-24-22(18-11-5-3-6-12-18)27(23)20-14-7-4-8-15-20/h3-8,11-12,14-15,19H,2,9-10,13,16-17H2,1H3/t19-/m0/s1