1-(3-ethanoylphenyl)-3-(5-nitropyridin-2-yl)thiourea

Systemtic Name: 1-(3-ethanoylphenyl)-3-(5-nitropyridin-2-yl)thiourea Openeye Name: 1-(3-acetylphenyl)-3-(5-nitro-2-pyridyl)thiourea CAS Name: 1-(3-acetylphenyl)-3-(5-nitro-2-pyridinyl)thiourea IUPAC Name: 1-(3-acetylphenyl)-3-(5-nitropyridin-2-yl)thiourea Traditional Name: 1-(3-acetylphenyl)-3-(5-nitro-2-pyridyl)thiourea Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O3S/c1-9(19)10-3-2-4-11(7-10)16-14(22)17-13-6-5-12(8-15-13)18(20)21/h2-8H,1H3,(H2,15,16,17,22)