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

Systemtic Name: 1-(5-nitropyridin-2-yl)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(5-nitro-2-pyridyl)thiourea CAS Name: 1-(5-nitro-2-pyridinyl)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(5-nitropyridin-2-yl)thiourea Traditional Name: 1-benzyl-3-(5-nitro-2-pyridyl)thiourea Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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