2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

Systemtic Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[2-(2-thienyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(2-thiophen-2-yl-1-pyrrolidinyl)ethanone IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-[2-(2-thienyl)pyrrolidino]ethanone Formula: C20H22N4OS2 MolecularWeight: 398.54488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)N3CCCC3C4=CC=CS4

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)N3CCCC3C4=CC=CS4

InChI

InChI=1S/C20H22N4OS2/c1-15-21-22-20(24(15)13-16-7-3-2-4-8-16)27-14-19(25)23-11-5-9-17(23)18-10-6-12-26-18/h2-4,6-8,10,12,17H,5,9,11,13-14H2,1H3