2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 1-(4-phenylpiperazino)-2-[(5-phenyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C28H29N5O2S MolecularWeight: 499.62716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N5O2S/c1-2-35-25-15-13-24(14-16-25)33-27(22-9-5-3-6-10-22)29-30-28(33)36-21-26(34)32-19-17-31(18-20-32)23-11-7-4-8-12-23/h3-16H,2,17-21H2,1H3