N-methyl-3-nitro-benzenecarbothioamide

Systemtic Name: N-methyl-3-nitro-benzenecarbothioamide Openeye Name: N-methyl-3-nitro-benzenecarbothioamide CAS Name: N-methyl-3-nitrobenzenecarbothioamide IUPAC Name: N-methyl-3-nitrobenzenecarbothioamide Traditional Name: N-methyl-3-nitro-thiobenzamide Formula: C8H8N2O2S MolecularWeight: 196.22632

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CNC(=S)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C8H8N2O2S/c1-9-8(13)6-3-2-4-7(5-6)10(11)12/h2-5H,1H3,(H,9,13)