1-[2-methyl-4-[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-yl]-2-phenyl-butan-1-one

Systemtic Name: 1-[2-methyl-4-[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[2-methyl-4-[2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[2-methyl-4-[1-oxo-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[2-methyl-4-[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[2-methyl-4-[2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]piperazino]-2-phenyl-butan-1-one Formula: C29H31N5O2S2 MolecularWeight: 545.71874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2C)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2C)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C29H31N5O2S2/c1-3-24(22-11-6-4-7-12-22)28(36)33-17-16-32(19-21(33)2)26(35)20-38-29-31-30-27(25-15-10-18-37-25)34(29)23-13-8-5-9-14-23/h4-15,18,21,24H,3,16-17,19-20H2,1-2H3