3-(4-chlorophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2-oxazole

Systemtic Name: 3-(4-chlorophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2-oxazole Openeye Name: 3-(4-chlorophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)isoxazole CAS Name: 3-(4-chlorophenyl)-5-[(1H-1,2,4-triazol-5-ylthio)methyl]isoxazole IUPAC Name: 3-(4-chlorophenyl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2-oxazole Traditional Name: 3-(4-chlorophenyl)-5-[(1H-1,2,4-triazol-5-ylthio)methyl]isoxazole Formula: C12H9ClN4OS MolecularWeight: 292.74406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NOC(=C2)CSC3=NC=NN3)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NOC(=C2)CSC3=NC=NN3)Cl

InChI

InChI=1S/C12H9ClN4OS/c13-9-3-1-8(2-4-9)11-5-10(18-17-11)6-19-12-14-7-15-16-12/h1-5,7H,6H2,(H,14,15,16)