3-(4-nitroimidazol-1-yl)-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: 3-(4-nitroimidazol-1-yl)-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: 3-(4-nitroimidazol-1-yl)-N-(5-thioxo-1H-1,2,4-triazol-4-yl)propanamide CAS Name: 3-(4-nitro-1-imidazolyl)-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: 3-(4-nitroimidazol-1-yl)-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: 3-(4-nitroimidazol-1-yl)-N-(5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C8H9N7O3S MolecularWeight: 283.26716

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=CN1CCC(=O)NN2C=NNC2=S)[N+](=O)[O-]

Isomeric SMILES

C1=C(N=CN1CCC(=O)NN2C=NNC2=S)[N+](=O)[O-]

InChI

InChI=1S/C8H9N7O3S/c16-7(12-14-5-10-11-8(14)19)1-2-13-3-6(9-4-13)15(17)18/h3-5H,1-2H2,(H,11,19)(H,12,16)