3-bromanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]thiophene-2-carboxamide

Systemtic Name: 3-bromanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]thiophene-2-carboxamide Openeye Name: 3-bromo-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]thiophene-2-carboxamide CAS Name: 3-bromo-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-2-thiophenecarboxamide IUPAC Name: 3-bromo-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]thiophene-2-carboxamide Traditional Name: 3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]thiophene-2-carboxamide Formula: C17H14BrN3OS2 MolecularWeight: 420.34656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=C(C=CS3)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=C(C=CS3)Br)C

InChI

InChI=1S/C17H14BrN3OS2/c1-10-9-11(2)20-17(19-10)24-13-5-3-12(4-6-13)21-16(22)15-14(18)7-8-23-15/h3-9H,1-2H3,(H,21,22)