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

Systemtic Name: N-[(5-iodanylpyridin-2-yl)carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(5-iodo-2-pyridyl)carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[(5-iodo-2-pyridinyl)amino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(5-iodopyridin-2-yl)carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[(5-iodo-2-pyridyl)thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C14H11IN4O3S MolecularWeight: 442.23161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11IN4O3S/c1-8-10(3-2-4-11(8)19(21)22)13(20)18-14(23)17-12-6-5-9(15)7-16-12/h2-7H,1H3,(H2,16,17,18,20,23)