2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-1-(3-nitrophenyl)ethanone Openeye Name: 2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-1-(3-nitrophenyl)ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-6-methyl-2-pyrimidinyl]thio]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-1-(3-nitrophenyl)ethanone Traditional Name: 2-[[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]thio]-1-(3-nitrophenyl)ethanone Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O4S/c1-13-10-18(14-6-8-17(27-2)9-7-14)22-20(21-13)28-12-19(24)15-4-3-5-16(11-15)23(25)26/h3-11H,12H2,1-2H3