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

Systemtic Name: N-[(5-methylpyridin-2-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(5-methyl-2-pyridyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[(5-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(5-methylpyridin-2-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(5-methyl-2-pyridyl)thiocarbamoyl]-3-nitro-benzamide Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O3S/c1-9-5-6-12(15-8-9)16-14(22)17-13(19)10-3-2-4-11(7-10)18(20)21/h2-8H,1H3,(H2,15,16,17,19,22)