2-[1-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[1-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole Openeye Name: 2-[1-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole CAS Name: 2-[1-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole IUPAC Name: 2-[1-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole Traditional Name: 2-[1-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]ethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SC(C)C3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SC(C)C3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O3S/c1-13-12-18(15-6-4-3-5-7-15)23-21(22-13)30-14(2)19-24-25-20(29-19)16-8-10-17(11-9-16)26(27)28/h3-12,14H,1-2H3