1-(2-methoxy-4-nitro-phenyl)-3-pyridin-3-yl-thiourea

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-pyridin-3-yl-thiourea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-(3-pyridyl)thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-(3-pyridinyl)thiourea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-pyridin-3-ylthiourea Traditional Name: 1-(2-methoxy-4-nitro-phenyl)-3-(3-pyridyl)thiourea Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CN=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CN=CC=C2

InChI

InChI=1S/C13H12N4O3S/c1-20-12-7-10(17(18)19)4-5-11(12)16-13(21)15-9-3-2-6-14-8-9/h2-8H,1H3,(H2,15,16,21)