1-(4-cyclohexylcarbonyl-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-cyclohexylcarbonyl-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-(cyclohexanecarbonyl)-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-[cyclohexyl(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-(cyclohexanecarbonyl)-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-(cyclohexanecarbonyl)-3-methyl-piperazino]-4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C28H35N5O2S2 MolecularWeight: 537.7398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCCC2)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCCC2)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C28H35N5O2S2/c1-21-20-31(16-17-32(21)27(35)22-10-4-2-5-11-22)25(34)15-9-19-37-28-30-29-26(24-14-8-18-36-24)33(28)23-12-6-3-7-13-23/h3,6-8,12-14,18,21-22H,2,4-5,9-11,15-17,19-20H2,1H3