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

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)-5-nitro-6-phenylsulfanyl-pyrimidine Openeye Name: 4-(3,5-dimethylpyrazol-1-yl)-5-nitro-6-phenylsulfanyl-pyrimidine CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)-5-nitro-6-(phenylthio)pyrimidine IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)-5-nitro-6-phenylsulfanylpyrimidine Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)-5-nitro-6-(phenylthio)pyrimidine Formula: C15H13N5O2S MolecularWeight: 327.36102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N5O2S/c1-10-8-11(2)19(18-10)14-13(20(21)22)15(17-9-16-14)23-12-6-4-3-5-7-12/h3-9H,1-2H3