4-(4-chlorophenyl)sulfanyl-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidine Openeye Name: 4-(4-chlorophenyl)sulfanyl-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidine CAS Name: 4-[(4-chlorophenyl)thio]-6-(3,5-dimethyl-1-pyrazolyl)-5-nitropyrimidine IUPAC Name: 4-(4-chlorophenyl)sulfanyl-6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidine Traditional Name: 4-[(4-chlorophenyl)thio]-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidine Formula: C15H12ClN5O2S MolecularWeight: 361.80608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C15H12ClN5O2S/c1-9-7-10(2)20(19-9)14-13(21(22)23)15(18-8-17-14)24-12-5-3-11(16)4-6-12/h3-8H,1-2H3