2-(5-chloranyl-2-propylsulfanyl-pyrimidin-4-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(5-chloranyl-2-propylsulfanyl-pyrimidin-4-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole Openeye Name: 2-(5-chloro-2-propylsulfanyl-pyrimidin-4-yl)-5-(p-tolyl)-1,3,4-oxadiazole CAS Name: 2-[5-chloro-2-(propylthio)-4-pyrimidinyl]-5-(4-methylphenyl)-1,3,4-oxadiazole IUPAC Name: 2-(5-chloro-2-propylsulfanylpyrimidin-4-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[5-chloro-2-(propylthio)pyrimidin-4-yl]-5-(p-tolyl)-1,3,4-oxadiazole Formula: C16H15ClN4OS MolecularWeight: 346.8345

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C2=NN=C(O2)C3=CC=C(C=C3)C)Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C2=NN=C(O2)C3=CC=C(C=C3)C)Cl

InChI

InChI=1S/C16H15ClN4OS/c1-3-8-23-16-18-9-12(17)13(19-16)15-21-20-14(22-15)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3