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

Systemtic Name: 3-(2,4-dichlorophenyl)-5-(2-prop-2-ynylsulfanylpyrimidin-4-yl)-1,2-oxazole Openeye Name: 3-(2,4-dichlorophenyl)-5-(2-prop-2-ynylsulfanylpyrimidin-4-yl)isoxazole CAS Name: 3-(2,4-dichlorophenyl)-5-[2-(prop-2-ynylthio)-4-pyrimidinyl]isoxazole IUPAC Name: 3-(2,4-dichlorophenyl)-5-(2-prop-2-ynylsulfanylpyrimidin-4-yl)-1,2-oxazole Traditional Name: 3-(2,4-dichlorophenyl)-5-[2-(propargylthio)pyrimidin-4-yl]isoxazole Formula: C16H9Cl2N3OS MolecularWeight: 362.23316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9Cl2N3OS/c1-2-7-23-16-19-6-5-13(20-16)15-9-14(21-22-15)11-4-3-10(17)8-12(11)18/h1,3-6,8-9H,7H2