4-[[4-(2-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-butan-1-one

Systemtic Name: 4-[[4-(2-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-butan-1-one Openeye Name: 4-[[5-benzyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-butan-1-one CAS Name: 4-[[4-(2-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-butanone IUPAC Name: 4-[[5-benzyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylbutan-1-one Traditional Name: 4-[[5-benzyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-butan-1-one Formula: C24H28N4OS MolecularWeight: 420.57032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCCCC(=O)N3CCCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCCC(=O)N3CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4OS/c1-19-10-5-6-13-21(19)28-22(18-20-11-3-2-4-12-20)25-26-24(28)30-17-9-14-23(29)27-15-7-8-16-27/h2-6,10-13H,7-9,14-18H2,1H3