4-[5-(3,5-dimethyl-4-nitro-pyrazol-1-yl)sulfonylthiophen-2-yl]-2-methylsulfanyl-pyrimidine

Systemtic Name: 4-[5-(3,5-dimethyl-4-nitro-pyrazol-1-yl)sulfonylthiophen-2-yl]-2-methylsulfanyl-pyrimidine Openeye Name: 4-[5-(3,5-dimethyl-4-nitro-pyrazol-1-yl)sulfonyl-2-thienyl]-2-methylsulfanyl-pyrimidine CAS Name: 4-[5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)sulfonyl]-2-thiophenyl]-2-(methylthio)pyrimidine IUPAC Name: 4-[5-(3,5-dimethyl-4-nitropyrazol-1-yl)sulfonylthiophen-2-yl]-2-methylsulfanylpyrimidine Traditional Name: 4-[5-(3,5-dimethyl-4-nitro-pyrazol-1-yl)sulfonyl-2-thienyl]-2-(methylthio)pyrimidine Formula: C14H13N5O4S3 MolecularWeight: 411.47912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=CC=C(S2)C3=NC(=NC=C3)SC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=CC=C(S2)C3=NC(=NC=C3)SC)C)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O4S3/c1-8-13(19(20)21)9(2)18(17-8)26(22,23)12-5-4-11(25-12)10-6-7-15-14(16-10)24-3/h4-7H,1-3H3