1-(3-nitrophenyl)-3-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 1-(3-nitrophenyl)-3-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-(3-nitrophenyl)-3-(2-pyridylmethyl)thiourea CAS Name: 1-(3-nitrophenyl)-3-(2-pyridinylmethyl)thiourea IUPAC Name: 1-(3-nitrophenyl)-3-(pyridin-2-ylmethyl)thiourea Traditional Name: 1-(3-nitrophenyl)-3-(2-pyridylmethyl)thiourea Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O2S/c18-17(19)12-6-3-5-10(8-12)16-13(20)15-9-11-4-1-2-7-14-11/h1-8H,9H2,(H2,15,16,20)