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

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidine Openeye Name: 4-(3,5-dimethylpyrazol-1-yl)-5-nitro-6-(p-tolylsulfanyl)pyrimidine CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)-6-[(4-methylphenyl)thio]-5-nitropyrimidine IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenyl)sulfanyl-5-nitropyrimidine Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)-5-nitro-6-(p-tolylthio)pyrimidine Formula: C16H15N5O2S MolecularWeight: 341.3876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3C(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3C(=CC(=N3)C)C

InChI

InChI=1S/C16H15N5O2S/c1-10-4-6-13(7-5-10)24-16-14(21(22)23)15(17-9-18-16)20-12(3)8-11(2)19-20/h4-9H,1-3H3