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

Systemtic Name: 1-[3-methyl-4-(2-phenylsulfanylethanoyl)piperazin-1-yl]-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Openeye Name: 1-[3-methyl-4-(2-phenylsulfanylacetyl)piperazin-1-yl]-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one CAS Name: 1-[3-methyl-4-[1-oxo-2-(phenylthio)ethyl]-1-piperazinyl]-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-butanone IUPAC Name: 1-[3-methyl-4-(2-phenylsulfanylacetyl)piperazin-1-yl]-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Traditional Name: 1-[3-methyl-4-[2-(phenylthio)acetyl]piperazino]-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]butan-1-one Formula: C26H31N5O2S2 MolecularWeight: 509.68664

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CSC2=CC=CC=C2)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)C

Isomeric SMILES

CC1CN(CCN1C(=O)CSC2=CC=CC=C2)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)C

InChI

InChI=1S/C26H31N5O2S2/c1-20-18-29(15-16-30(20)25(33)19-35-23-12-7-4-8-13-23)24(32)14-9-17-34-26-28-27-21(2)31(26)22-10-5-3-6-11-22/h3-8,10-13,20H,9,14-19H2,1-2H3