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

Systemtic Name: 5-methyl-3-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Openeye Name: 3-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-isoxazole CAS Name: 5-methyl-3-[[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole IUPAC Name: 5-methyl-3-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Traditional Name: 5-methyl-3-[[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5OS/c1-14(2)18-8-4-5-9-19(18)26-20(16-7-6-10-22-12-16)23-24-21(26)28-13-17-11-15(3)27-25-17/h4-12,14H,13H2,1-3H3