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

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenethylpiperidin-1-yl)ethanone Openeye Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenethyl-1-piperidyl)ethanone CAS Name: 2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(4-phenethyl-1-piperidinyl)ethanone IUPAC Name: 2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenethylpiperidin-1-yl)ethanone Traditional Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenethylpiperidino)ethanone Formula: C27H32N4O2S MolecularWeight: 476.63358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)N3CCC(CC3)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)N3CCC(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O2S/c1-3-17-31-26(23-11-7-8-12-24(23)33-2)28-29-27(31)34-20-25(32)30-18-15-22(16-19-30)14-13-21-9-5-4-6-10-21/h3-12,22H,1,13-20H2,2H3