1-[4-[5-(2-chloranyl-5-nitro-phenyl)furan-2-yl]-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-[5-(2-chloranyl-5-nitro-phenyl)furan-2-yl]-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-5-yl]ethanone Openeye Name: 1-[4-[5-(2-chloro-5-nitro-phenyl)-2-furyl]-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-5-yl]ethanone CAS Name: 1-[4-[5-(2-chloro-5-nitrophenyl)-2-furanyl]-6-methyl-2-(methylthio)-1,4-dihydropyrimidin-5-yl]ethanone IUPAC Name: 1-[4-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidin-5-yl]ethanone Traditional Name: 1-[4-[5-(2-chloro-5-nitro-phenyl)-2-furyl]-6-methyl-2-(methylthio)-1,4-dihydropyrimidin-5-yl]ethanone Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)SC)C2=CC=C(O2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=O)C

Isomeric SMILES

CC1=C(C(N=C(N1)SC)C2=CC=C(O2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=O)C

InChI

InChI=1S/C18H16ClN3O4S/c1-9-16(10(2)23)17(21-18(20-9)27-3)15-7-6-14(26-15)12-8-11(22(24)25)4-5-13(12)19/h4-8,17H,1-3H3,(H,20,21)