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

Systemtic Name: 3-(4-chlorophenyl)-5-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole Openeye Name: 3-(4-chlorophenyl)-5-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]isoxazole CAS Name: 3-(4-chlorophenyl)-5-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]isoxazole IUPAC Name: 3-(4-chlorophenyl)-5-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole Traditional Name: 3-(4-chlorophenyl)-5-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]isoxazole Formula: C21H17ClN4OS MolecularWeight: 408.90388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=NO4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=NO4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H17ClN4OS/c22-16-10-8-14(9-11-16)19-12-18(27-25-19)13-28-21-24-23-20(15-6-7-15)26(21)17-4-2-1-3-5-17/h1-5,8-12,15H,6-7,13H2