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

Systemtic Name: 2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenethylpiperidin-1-yl)ethanone Openeye Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenethyl-1-piperidyl)ethanone CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenethyl-1-piperidinyl)ethanone IUPAC Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenethylpiperidin-1-yl)ethanone Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenethylpiperidino)ethanone Formula: C24H29N5O2S MolecularWeight: 451.58436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)N3CCC(CC3)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)N3CCC(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H29N5O2S/c1-31-21-11-9-20(10-12-21)23-26-27-24(29(23)25)32-17-22(30)28-15-13-19(14-16-28)8-7-18-5-3-2-4-6-18/h2-6,9-12,19H,7-8,13-17,25H2,1H3