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

Systemtic Name: N-[(2-chloranylpyridin-3-yl)carbamothioyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[(2-chloro-3-pyridyl)carbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[(2-chloro-3-pyridinyl)amino]-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[(2-chloropyridin-3-yl)carbamothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[(2-chloro-3-pyridyl)thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C14H11ClN4O3S MolecularWeight: 350.78014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClN4O3S/c1-8-4-5-9(7-11(8)19(21)22)13(20)18-14(23)17-10-3-2-6-16-12(10)15/h2-7H,1H3,(H2,17,18,20,23)