2-[2-chloranyl-3-(4-nitrophenyl)sulfanyl-propyl]sulfanyl-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-chloranyl-3-(4-nitrophenyl)sulfanyl-propyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[2-chloro-3-(4-nitrophenyl)sulfanyl-propyl]sulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[2-chloro-3-[(4-nitrophenyl)thio]propyl]thio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-chloro-3-(4-nitrophenyl)sulfanylpropyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-chloro-3-[(4-nitrophenyl)thio]propyl]thio]-6-methyl-1H-pyrimidin-4-one Formula: C14H14ClN3O3S2 MolecularWeight: 371.86226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(CSC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(CSC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H14ClN3O3S2/c1-9-6-13(19)17-14(16-9)23-8-10(15)7-22-12-4-2-11(3-5-12)18(20)21/h2-6,10H,7-8H2,1H3,(H,16,17,19)