3,5-dimethyl-4-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Openeye Name: 4-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-isoxazole CAS Name: 3,5-dimethyl-4-[[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=NN=C(N2C3=CC=CC=C3C(C)C)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=NN=C(N2C3=CC=CC=C3C(C)C)C4=CN=CC=C4

InChI

InChI=1S/C22H23N5OS/c1-14(2)18-9-5-6-10-20(18)27-21(17-8-7-11-23-12-17)24-25-22(27)29-13-19-15(3)26-28-16(19)4/h5-12,14H,13H2,1-4H3