2-(5-chloranyl-2-propan-2-ylsulfanyl-pyrimidin-4-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(5-chloranyl-2-propan-2-ylsulfanyl-pyrimidin-4-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazole Openeye Name: 2-(5-chloro-2-isopropylsulfanyl-pyrimidin-4-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazole CAS Name: 2-[5-chloro-2-(propan-2-ylthio)-4-pyrimidinyl]-5-(2-nitrophenyl)-1,3,4-oxadiazole IUPAC Name: 2-(5-chloro-2-propan-2-ylsulfanylpyrimidin-4-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazole Traditional Name: 2-[5-chloro-2-(isopropylthio)pyrimidin-4-yl]-5-(2-nitrophenyl)-1,3,4-oxadiazole Formula: C15H12ClN5O3S MolecularWeight: 377.80548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC=C(C(=N1)C2=NN=C(O2)C3=CC=CC=C3[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)SC1=NC=C(C(=N1)C2=NN=C(O2)C3=CC=CC=C3[N+](=O)[O-])Cl

InChI

InChI=1S/C15H12ClN5O3S/c1-8(2)25-15-17-7-10(16)12(18-15)14-20-19-13(24-14)9-5-3-4-6-11(9)21(22)23/h3-8H,1-2H3