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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C27H27N5O2S MolecularWeight: 485.60058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O2S/c1-34-24-14-12-23(13-15-24)32-26(21-8-4-2-5-9-21)28-29-27(32)35-20-25(33)31-18-16-30(17-19-31)22-10-6-3-7-11-22/h2-15H,16-20H2,1H3