3-(2-methyl-4-nitro-imidazol-1-yl)propyl carbamimidothioate

Systemtic Name: 3-(2-methyl-4-nitro-imidazol-1-yl)propyl carbamimidothioate Openeye Name: 2-[3-(2-methyl-4-nitro-imidazol-1-yl)propyl]isothiourea CAS Name: carbamimidothioic acid 3-(2-methyl-4-nitro-1-imidazolyl)propyl ester IUPAC Name: 3-(2-methyl-4-nitroimidazol-1-yl)propyl carbamimidothioate Traditional Name: 2-[3-(2-methyl-4-nitro-imidazol-1-yl)propyl]isothiourea Formula: C8H13N5O2S MolecularWeight: 243.28612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CCCSC(=N)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1CCCSC(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C8H13N5O2S/c1-6-11-7(13(14)15)5-12(6)3-2-4-16-8(9)10/h5H,2-4H2,1H3,(H3,9,10)