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

Systemtic Name: (2S)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: (2S)-2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-(1-piperidyl)ethanone CAS Name: (2S)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: (2S)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone Traditional Name: (2S)-2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-piperidino-ethanone Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC=C)SC(C3=CC=CC=C3)C(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)S[C@@H](C3=CC=CC=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C25H28N4O2S/c1-3-16-29-23(20-14-8-9-15-21(20)31-2)26-27-25(29)32-22(19-12-6-4-7-13-19)24(30)28-17-10-5-11-18-28/h3-4,6-9,12-15,22H,1,5,10-11,16-18H2,2H3/t22-/m0/s1