N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]piazthiole-5-carboxamide Formula: C15H10ClN5O3S2 MolecularWeight: 407.8546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC3=NSN=C3C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC3=NSN=C3C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H10ClN5O3S2/c1-7-4-13(21(23)24)9(16)6-11(7)17-15(25)18-14(22)8-2-3-10-12(5-8)20-26-19-10/h2-6H,1H3,(H2,17,18,22,25)