N-[(1Z)-1-(carbamothioylhydrazinylidene)-1-(4-nitrophenyl)-3-oxidanyl-propan-2-yl]ethanamide

Systemtic Name: N-[(1Z)-1-(carbamothioylhydrazinylidene)-1-(4-nitrophenyl)-3-oxidanyl-propan-2-yl]ethanamide Openeye Name: N-[(2Z)-2-(carbamothioylhydrazono)-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide CAS Name: N-[(1Z)-1-(carbamothioylhydrazinylidene)-3-hydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide IUPAC Name: N-[(1Z)-1-(carbamothioylhydrazinylidene)-3-hydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide Traditional Name: N-[(2Z)-1-methylol-2-(4-nitrophenyl)-2-(thiocarbamoylhydrazono)ethyl]acetamide Formula: C12H15N5O4S MolecularWeight: 325.3436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CO)C(=NNC(=S)N)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC(CO)/C(=N\NC(=S)N)/C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O4S/c1-7(19)14-10(6-18)11(15-16-12(13)22)8-2-4-9(5-3-8)17(20)21/h2-5,10,18H,6H2,1H3,(H,14,19)(H3,13,16,22)/b15-11-