2-(aminocarbamoyl)-5-nitro-benzenecarbothioamide hydrate

Systemtic Name: 2-(aminocarbamoyl)-5-nitro-benzenecarbothioamide hydrate Openeye Name: 2-(hydrazinecarbonyl)-5-nitro-benzenecarbothioamide hydrate CAS Name: 2-(hydrazinecarbonyl)-5-nitrobenzenecarbothioamide hydrate IUPAC Name: 2-(hydrazinecarbonyl)-5-nitrobenzenecarbothioamide hydrate Traditional Name: 2-carbazoyl-5-nitro-thiobenzamide hydrate Formula: C8H10N4O4S MolecularWeight: 258.2544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=S)N)C(=O)NN.O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=S)N)C(=O)NN.O

InChI

InChI=1S/C8H8N4O3S.H2O/c9-7(16)6-3-4(12(14)15)1-2-5(6)8(13)11-10;/h1-3H,10H2,(H2,9,16)(H,11,13);1H2