1-(4-nitrophenyl)-3-(pyridin-3-ylcarbonylamino)thiourea

Systemtic Name: 1-(4-nitrophenyl)-3-(pyridin-3-ylcarbonylamino)thiourea Openeye Name: 1-(4-nitrophenyl)-3-(pyridine-3-carbonylamino)thiourea CAS Name: 1-(4-nitrophenyl)-3-[[oxo(3-pyridinyl)methyl]amino]thiourea IUPAC Name: 1-(4-nitrophenyl)-3-(pyridine-3-carbonylamino)thiourea Traditional Name: 1-nicotinamido-3-(4-nitrophenyl)thiourea Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O3S/c19-12(9-2-1-7-14-8-9)16-17-13(22)15-10-3-5-11(6-4-10)18(20)21/h1-8H,(H,16,19)(H2,15,17,22)