3-(4-methoxyphenyl)-5-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole

Systemtic Name: 3-(4-methoxyphenyl)-5-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole Openeye Name: 5-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-methoxyphenyl)isoxazole CAS Name: 3-(4-methoxyphenyl)-5-[[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]isoxazole IUPAC Name: 3-(4-methoxyphenyl)-5-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole Traditional Name: 5-[[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-3-(4-methoxyphenyl)isoxazole Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC2=CC(=NO2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC2=CC(=NO2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H18N4O2S/c1-4-9-21-12(2)18-19-17(21)24-11-15-10-16(20-23-15)13-5-7-14(22-3)8-6-13/h4-8,10H,1,9,11H2,2-3H3