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

Systemtic Name: 1-(4-nitrophenyl)-3-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(4-nitrophenyl)-3-(3-pyridylmethyl)thiourea CAS Name: 1-(4-nitrophenyl)-3-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(4-nitrophenyl)-3-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(4-nitrophenyl)-3-(3-pyridylmethyl)thiourea Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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