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

Systemtic Name: 5-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 3-phenyl-5-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 5-[[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 3-phenyl-5-[[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=NO3)C4=CC=CC=C4)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=NO3)C4=CC=CC=C4)N5CCCC5

InChI

InChI=1S/C22H22N6OS/c1-16-9-11-18(12-10-16)28-21(27-13-5-6-14-27)24-25-22(28)30-15-19-23-20(26-29-19)17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-15H2,1H3