2-[[5-[[(4-methoxyphenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[5-[[(4-methoxyphenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-[(4-methoxyanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-[(4-methoxyanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-[(4-methoxyanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-(p-anisidinomethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCCCC4

InChI

InChI=1S/C23H27N5O2S/c1-30-20-12-10-18(11-13-20)24-16-21-25-26-23(28(21)19-8-4-2-5-9-19)31-17-22(29)27-14-6-3-7-15-27/h2,4-5,8-13,24H,3,6-7,14-17H2,1H3