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

Systemtic Name: 3-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole Openeye Name: 3-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(3-thienyl)-1,2,4-oxadiazole CAS Name: 3-[[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-5-(3-thiophenyl)-1,2,4-oxadiazole IUPAC Name: 3-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole Traditional Name: 3-[[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]methyl]-5-(3-thienyl)-1,2,4-oxadiazole Formula: C20H20N6OS2 MolecularWeight: 424.5424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NOC(=N3)C4=CSC=C4)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NOC(=N3)C4=CSC=C4)N5CCCC5

InChI

InChI=1S/C20H20N6OS2/c1-14-4-6-16(7-5-14)26-19(25-9-2-3-10-25)22-23-20(26)29-13-17-21-18(27-24-17)15-8-11-28-12-15/h4-8,11-12H,2-3,9-10,13H2,1H3