1-(2,2-diethoxyethyl)-3-(5-nitropyridin-2-yl)thiourea

Systemtic Name: 1-(2,2-diethoxyethyl)-3-(5-nitropyridin-2-yl)thiourea Openeye Name: 1-(2,2-diethoxyethyl)-3-(5-nitro-2-pyridyl)thiourea CAS Name: 1-(2,2-diethoxyethyl)-3-(5-nitro-2-pyridinyl)thiourea IUPAC Name: 1-(2,2-diethoxyethyl)-3-(5-nitropyridin-2-yl)thiourea Traditional Name: 1-(2,2-diethoxyethyl)-3-(5-nitro-2-pyridyl)thiourea Formula: C12H18N4O4S MolecularWeight: 314.36072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CNC(=S)NC1=NC=C(C=C1)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC(CNC(=S)NC1=NC=C(C=C1)[N+](=O)[O-])OCC

InChI

InChI=1S/C12H18N4O4S/c1-3-19-11(20-4-2)8-14-12(21)15-10-6-5-9(7-13-10)16(17)18/h5-7,11H,3-4,8H2,1-2H3,(H2,13,14,15,21)