2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Openeye Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S)-2-methyl-1-piperidyl]ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-[(2S)-2-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Traditional Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-[(2S)-2-methylpiperidino]ethanone Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2S/c1-17-8-6-7-15-26(17)21(28)16-30-23-25-24-22(18-9-4-3-5-10-18)27(23)19-11-13-20(29-2)14-12-19/h3-5,9-14,17H,6-8,15-16H2,1-2H3/t17-/m0/s1