1-nitropropyl carbamimidothioate

Systemtic Name: 1-nitropropyl carbamimidothioate Openeye Name: 2-(1-nitropropyl)isothiourea CAS Name: carbamimidothioic acid 1-nitropropyl ester IUPAC Name: 1-nitropropyl carbamimidothioate Traditional Name: 2-(1-nitropropyl)isothiourea Formula: C4H9N3O2S MolecularWeight: 163.19816

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Descriptors Computed from Structure

Canonical SMILES:

CCC([N+](=O)[O-])SC(=N)N

Isomeric SMILES

CCC([N+](=O)[O-])SC(=N)N

InChI

InChI=1S/C4H9N3O2S/c1-2-3(7(8)9)10-4(5)6/h3H,2H2,1H3,(H3,5,6)