N-[(5-bromanylpyridin-2-yl)carbamothioyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[(5-bromanylpyridin-2-yl)carbamothioyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[(5-bromo-2-pyridyl)carbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[(5-bromopyridin-2-yl)carbamothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[(5-bromo-2-pyridyl)thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C14H11BrN4O3S MolecularWeight: 395.23114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H11BrN4O3S/c1-8-2-3-9(6-11(8)19(21)22)13(20)18-14(23)17-12-5-4-10(15)7-16-12/h2-7H,1H3,(H2,16,17,18,20,23)