N-(1,3-benzothiazol-2-ylmethyl)-N,3-dimethyl-5-nitro-imidazol-4-amine

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N,3-dimethyl-5-nitro-imidazol-4-amine Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N,3-dimethyl-5-nitro-imidazol-4-amine CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N,3-dimethyl-5-nitro-4-imidazolamine IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N,3-dimethyl-5-nitroimidazol-4-amine Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-(3-methyl-5-nitro-imidazol-4-yl)amine Formula: C13H13N5O2S MolecularWeight: 303.33962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N(C)CC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N(C)CC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O2S/c1-16(13-12(18(19)20)14-8-17(13)2)7-11-15-9-5-3-4-6-10(9)21-11/h3-6,8H,7H2,1-2H3