N-(2-azanyl-5-nitro-phenyl)-4-nitro-benzenecarbothioamide

Systemtic Name: N-(2-azanyl-5-nitro-phenyl)-4-nitro-benzenecarbothioamide Openeye Name: N-(2-amino-5-nitro-phenyl)-4-nitro-benzenecarbothioamide CAS Name: N-(2-amino-5-nitrophenyl)-4-nitrobenzenecarbothioamide IUPAC Name: N-(2-amino-5-nitrophenyl)-4-nitrobenzenecarbothioamide Traditional Name: N-(2-amino-5-nitro-phenyl)-4-nitro-thiobenzamide Formula: C13H10N4O4S MolecularWeight: 318.3079

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])N)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O4S/c14-11-6-5-10(17(20)21)7-12(11)15-13(22)8-1-3-9(4-2-8)16(18)19/h1-7H,14H2,(H,15,22)