4-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole

Systemtic Name: 4-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole Openeye Name: 4-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(2-thienyl)oxazole CAS Name: 4-[[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-2-thiophen-2-yloxazole IUPAC Name: 4-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole Traditional Name: 4-[[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]methyl]-2-(2-thienyl)oxazole Formula: C21H21N5OS2 MolecularWeight: 423.55434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=COC(=N3)C4=CC=CS4)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=COC(=N3)C4=CC=CS4)N5CCCC5

InChI

InChI=1S/C21H21N5OS2/c1-15-6-8-17(9-7-15)26-20(25-10-2-3-11-25)23-24-21(26)29-14-16-13-27-19(22-16)18-5-4-12-28-18/h4-9,12-13H,2-3,10-11,14H2,1H3