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

Systemtic Name: 1-[4-(1-adamantylcarbonyl)-3-methyl-piperazin-1-yl]-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Openeye Name: 1-[4-(adamantane-1-carbonyl)-3-methyl-piperazin-1-yl]-4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-[4-[1-adamantyl(oxo)methyl]-3-methyl-1-piperazinyl]-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-butanone IUPAC Name: 1-[4-(adamantane-1-carbonyl)-3-methylpiperazin-1-yl]-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Traditional Name: 1-[4-(adamantane-1-carbonyl)-3-methyl-piperazino]-4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C32H39N5O2S2 MolecularWeight: 589.81436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)CCCSC5=NN=C(N5C6=CC=CC=C6)C7=CC=CS7

Isomeric SMILES

CC1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)CCCSC5=NN=C(N5C6=CC=CC=C6)C7=CC=CS7

InChI

InChI=1S/C32H39N5O2S2/c1-22-21-35(11-12-36(22)30(39)32-18-23-15-24(19-32)17-25(16-23)20-32)28(38)10-6-14-41-31-34-33-29(27-9-5-13-40-27)37(31)26-7-3-2-4-8-26/h2-5,7-9,13,22-25H,6,10-12,14-21H2,1H3