N-[(2-methyl-3-nitro-phenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[(2-methyl-3-nitro-phenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[(2-methyl-3-nitro-phenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[(2-methyl-3-nitro-phenyl)thiocarbamoyl]piazthiole-5-carboxamide Formula: C15H11N5O3S2 MolecularWeight: 373.40954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC(=O)C2=CC3=NSN=C3C=C2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC(=O)C2=CC3=NSN=C3C=C2

InChI

InChI=1S/C15H11N5O3S2/c1-8-10(3-2-4-13(8)20(22)23)16-15(24)17-14(21)9-5-6-11-12(7-9)19-25-18-11/h2-7H,1H3,(H2,16,17,21,24)