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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NCC2=CC=NC=C2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NCC2=CC=NC=C2

InChI

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