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

Systemtic Name: 3-(4-chlorophenyl)-5-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole Openeye Name: 5-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-chlorophenyl)isoxazole CAS Name: 3-(4-chlorophenyl)-5-[[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]isoxazole IUPAC Name: 3-(4-chlorophenyl)-5-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole Traditional Name: 5-[[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-3-(4-chlorophenyl)isoxazole Formula: C18H17ClN4OS MolecularWeight: 372.87178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC(=NO2)C3=CC=C(C=C3)Cl)C4CC4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=NO2)C3=CC=C(C=C3)Cl)C4CC4

InChI

InChI=1S/C18H17ClN4OS/c1-2-9-23-17(13-3-4-13)20-21-18(23)25-11-15-10-16(22-24-15)12-5-7-14(19)8-6-12/h2,5-8,10,13H,1,3-4,9,11H2