3-cyclopentyl-1-[2-methyl-4-[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-cyclopentyl-1-[2-methyl-4-[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-yl]propan-1-one Openeye Name: 3-cyclopentyl-1-[2-methyl-4-[2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazin-1-yl]propan-1-one CAS Name: 3-cyclopentyl-1-[2-methyl-4-[1-oxo-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-cyclopentyl-1-[2-methyl-4-[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]propan-1-one Traditional Name: 3-cyclopentyl-1-[2-methyl-4-[2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]piperazino]propan-1-one Formula: C27H33N5O2S2 MolecularWeight: 523.71322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CCC2CCCC2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CC1CN(CCN1C(=O)CCC2CCCC2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C27H33N5O2S2/c1-20-18-30(15-16-31(20)24(33)14-13-21-8-5-6-9-21)25(34)19-36-27-29-28-26(23-12-7-17-35-23)32(27)22-10-3-2-4-11-22/h2-4,7,10-12,17,20-21H,5-6,8-9,13-16,18-19H2,1H3