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

Systemtic Name: 5-methyl-3-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Openeye Name: 5-methyl-3-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]isoxazole CAS Name: 5-methyl-3-[[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole IUPAC Name: 5-methyl-3-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Traditional Name: 5-methyl-3-[[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]methyl]isoxazole Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NOC(=C3)C)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NOC(=C3)C)N4CCCC4

InChI

InChI=1S/C18H21N5OS/c1-13-5-7-16(8-6-13)23-17(22-9-3-4-10-22)19-20-18(23)25-12-15-11-14(2)24-21-15/h5-8,11H,3-4,9-10,12H2,1-2H3