3-(4-chlorophenyl)-5-(2-prop-2-ynylsulfanylpyrimidin-4-yl)-1,2-oxazole

Systemtic Name: 3-(4-chlorophenyl)-5-(2-prop-2-ynylsulfanylpyrimidin-4-yl)-1,2-oxazole Openeye Name: 3-(4-chlorophenyl)-5-(2-prop-2-ynylsulfanylpyrimidin-4-yl)isoxazole CAS Name: 3-(4-chlorophenyl)-5-[2-(prop-2-ynylthio)-4-pyrimidinyl]isoxazole IUPAC Name: 3-(4-chlorophenyl)-5-(2-prop-2-ynylsulfanylpyrimidin-4-yl)-1,2-oxazole Traditional Name: 3-(4-chlorophenyl)-5-[2-(propargylthio)pyrimidin-4-yl]isoxazole Formula: C16H10ClN3OS MolecularWeight: 327.7881

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC=CC(=N1)C2=CC(=NO2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C#CCSC1=NC=CC(=N1)C2=CC(=NO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H10ClN3OS/c1-2-9-22-16-18-8-7-13(19-16)15-10-14(20-21-15)11-3-5-12(17)6-4-11/h1,3-8,10H,9H2