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

Systemtic Name: 4-[5-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)sulfonylthiophen-2-yl]-2-methylsulfanyl-pyrimidine Openeye Name: 4-[5-(4-bromo-3,5-dimethyl-pyrazol-1-yl)sulfonyl-2-thienyl]-2-methylsulfanyl-pyrimidine CAS Name: 4-[5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)sulfonyl]-2-thiophenyl]-2-(methylthio)pyrimidine IUPAC Name: 4-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonylthiophen-2-yl]-2-methylsulfanylpyrimidine Traditional Name: 4-[5-(4-bromo-3,5-dimethyl-pyrazol-1-yl)sulfonyl-2-thienyl]-2-(methylthio)pyrimidine Formula: C14H13BrN4O2S3 MolecularWeight: 445.37762

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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)Br

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=CC=C(S2)C3=NC(=NC=C3)SC)C)Br

InChI

InChI=1S/C14H13BrN4O2S3/c1-8-13(15)9(2)19(18-8)24(20,21)12-5-4-11(23-12)10-6-7-16-14(17-10)22-3/h4-7H,1-3H3