5-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole

Systemtic Name: 5-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole Openeye Name: 5-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2-methoxyphenyl)isoxazole CAS Name: 5-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-(2-methoxyphenyl)isoxazole IUPAC Name: 5-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole Traditional Name: 5-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-(2-methoxyphenyl)isoxazole Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC2=CC(=NO2)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC2=CC(=NO2)C3=CC=CC=C3OC

InChI

InChI=1S/C17H20N4O2S/c1-17(2,3)15-18-16(20-19-15)24-10-11-9-13(21-23-11)12-7-5-6-8-14(12)22-4/h5-9H,10H2,1-4H3,(H,18,19,20)