1-butyl-3-[(5-nitropyridin-2-yl)amino]thiourea

Systemtic Name: 1-butyl-3-[(5-nitropyridin-2-yl)amino]thiourea Openeye Name: 1-butyl-3-[(5-nitro-2-pyridyl)amino]thiourea CAS Name: 1-butyl-3-[(5-nitro-2-pyridinyl)amino]thiourea IUPAC Name: 1-butyl-3-[(5-nitropyridin-2-yl)amino]thiourea Traditional Name: 1-butyl-3-[(5-nitro-2-pyridyl)amino]thiourea Formula: C10H15N5O2S MolecularWeight: 269.3234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC1=NC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=S)NNC1=NC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H15N5O2S/c1-2-3-6-11-10(18)14-13-9-5-4-8(7-12-9)15(16)17/h4-5,7H,2-3,6H2,1H3,(H,12,13)(H2,11,14,18)