4-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(2-phenylcyclopropyl)carbonyl-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-phenylcyclopropyl)carbonyl-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-phenylcyclopropanecarbonyl)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-[oxo-(2-phenylcyclopropyl)methyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(2-phenylcyclopropanecarbonyl)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-phenylcyclopropanecarbonyl)piperazino]butan-1-one Formula: C35H39N5O3S MolecularWeight: 609.78086

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CC2C3=CC=CC=C3)C(=O)CCCSC4=NN=C(N4C5=CC=C(C=C5)OC)CC6=CC=CC=C6

Isomeric SMILES

CC1CN(CCN1C(=O)C2CC2C3=CC=CC=C3)C(=O)CCCSC4=NN=C(N4C5=CC=C(C=C5)OC)CC6=CC=CC=C6

InChI

InChI=1S/C35H39N5O3S/c1-25-24-38(19-20-39(25)34(42)31-23-30(31)27-12-7-4-8-13-27)33(41)14-9-21-44-35-37-36-32(22-26-10-5-3-6-11-26)40(35)28-15-17-29(43-2)18-16-28/h3-8,10-13,15-18,25,30-31H,9,14,19-24H2,1-2H3