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

Systemtic Name: 1-[2-methyl-4-[4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[2-methyl-4-[4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[2-methyl-4-[1-oxo-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]butyl]-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[2-methyl-4-[4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[2-methyl-4-[4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butanoyl]piperazino]-2-phenyl-butan-1-one Formula: C31H35N5O2S2 MolecularWeight: 573.7719

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2C)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2C)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C31H35N5O2S2/c1-3-26(24-12-6-4-7-13-24)30(38)35-19-18-34(22-23(35)2)28(37)17-11-21-40-31-33-32-29(27-16-10-20-39-27)36(31)25-14-8-5-9-15-25/h4-10,12-16,20,23,26H,3,11,17-19,21-22H2,1-2H3