1-(3-fluorophenyl)-3-[(3-nitropyridin-2-yl)methyl]thiourea

Systemtic Name: 1-(3-fluorophenyl)-3-[(3-nitropyridin-2-yl)methyl]thiourea Openeye Name: 1-(3-fluorophenyl)-3-[(3-nitro-2-pyridyl)methyl]thiourea CAS Name: 1-(3-fluorophenyl)-3-[(3-nitro-2-pyridinyl)methyl]thiourea IUPAC Name: 1-(3-fluorophenyl)-3-[(3-nitropyridin-2-yl)methyl]thiourea Traditional Name: 1-(3-fluorophenyl)-3-[(3-nitro-2-pyridyl)methyl]thiourea Formula: C13H11FN4O2S MolecularWeight: 306.315443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)NC(=S)NCC2=C(C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)F)NC(=S)NCC2=C(C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H11FN4O2S/c14-9-3-1-4-10(7-9)17-13(21)16-8-11-12(18(19)20)5-2-6-15-11/h1-7H,8H2,(H2,16,17,21)