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

Systemtic Name: 4-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(2-phenylsulfanylethanoyl)piperazin-1-yl]butan-1-one Openeye Name: 4-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(2-phenylsulfanylacetyl)piperazin-1-yl]butan-1-one CAS Name: 4-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-[3-methyl-4-[1-oxo-2-(phenylthio)ethyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(2-phenylsulfanylacetyl)piperazin-1-yl]butan-1-one Traditional Name: 4-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-[3-methyl-4-[2-(phenylthio)acetyl]piperazino]butan-1-one Formula: C33H37N5O3S2 MolecularWeight: 615.80858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CSC2=CC=CC=C2)C(=O)CCCSC3=NN=C(N3C4=CC=C(C=C4)OC)CC5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)CSC2=CC=CC=C2)C(=O)CCCSC3=NN=C(N3C4=CC=C(C=C4)OC)CC5=CC=CC=C5

InChI

InChI=1S/C33H37N5O3S2/c1-25-23-36(19-20-37(25)32(40)24-43-29-12-7-4-8-13-29)31(39)14-9-21-42-33-35-34-30(22-26-10-5-3-6-11-26)38(33)27-15-17-28(41-2)18-16-27/h3-8,10-13,15-18,25H,9,14,19-24H2,1-2H3