3-[(E)-[azanyl-(1-methyl-5-nitro-imidazol-2-yl)methylidene]amino]-1,1-dimethyl-thiourea

Systemtic Name: 3-[(E)-[azanyl-(1-methyl-5-nitro-imidazol-2-yl)methylidene]amino]-1,1-dimethyl-thiourea Openeye Name: 3-[(E)-[amino-(1-methyl-5-nitro-imidazol-2-yl)methylene]amino]-1,1-dimethyl-thiourea CAS Name: 3-[(E)-[amino-(1-methyl-5-nitro-2-imidazolyl)methylidene]amino]-1,1-dimethylthiourea IUPAC Name: 3-[(E)-[amino-(1-methyl-5-nitroimidazol-2-yl)methylidene]amino]-1,1-dimethylthiourea Traditional Name: 3-[(E)-[amino-(1-methyl-5-nitro-imidazol-2-yl)methylene]amino]-1,1-dimethyl-thiourea Formula: C8H13N7O2S MolecularWeight: 271.29952

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C(=NNC(=S)N(C)C)N)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1/C(=N\NC(=S)N(C)C)/N)[N+](=O)[O-]

InChI

InChI=1S/C8H13N7O2S/c1-13(2)8(18)12-11-6(9)7-10-4-5(14(7)3)15(16)17/h4H,1-3H3,(H2,9,11)(H,12,18)