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

Systemtic Name: 3-(4-chlorophenyl)-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-chlorophenyl)isoxazole CAS Name: 3-(4-chlorophenyl)-5-[[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]isoxazole IUPAC Name: 3-(4-chlorophenyl)-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-chlorophenyl)isoxazole Formula: C16H15ClN4OS MolecularWeight: 346.8345

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4OS/c1-3-8-21-11(2)18-19-16(21)23-10-14-9-15(20-22-14)12-4-6-13(17)7-5-12/h3-7,9H,1,8,10H2,2H3