N-[(2-methyl-5-nitro-phenyl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]pyridine-3-carboxamide CAS Name: N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[(2-methyl-5-nitrophenyl)carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]nicotinamide Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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