4,5,6-trimethyl-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-pyrimidine

Systemtic Name: 4,5,6-trimethyl-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-pyrimidine Openeye Name: 4,5,6-trimethyl-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-pyrimidine CAS Name: 4,5,6-trimethyl-2-[(4-methylsulfonyl-2-nitrophenyl)thio]pyrimidine IUPAC Name: 4,5,6-trimethyl-2-(4-methylsulfonyl-2-nitrophenyl)sulfanylpyrimidine Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]-4,5,6-trimethyl-pyrimidine Formula: C14H15N3O4S2 MolecularWeight: 353.4166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(N=C(N=C1C)SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C14H15N3O4S2/c1-8-9(2)15-14(16-10(8)3)22-13-6-5-11(23(4,20)21)7-12(13)17(18)19/h5-7H,1-4H3