2-methyl-4-[(1-methyl-5-nitro-imidazol-2-yl)methoxy]benzenethiol

Systemtic Name: 2-methyl-4-[(1-methyl-5-nitro-imidazol-2-yl)methoxy]benzenethiol Openeye Name: 2-methyl-4-[(1-methyl-5-nitro-imidazol-2-yl)methoxy]benzenethiol CAS Name: 2-methyl-4-[(1-methyl-5-nitro-2-imidazolyl)methoxy]benzenethiol IUPAC Name: 2-methyl-4-[(1-methyl-5-nitroimidazol-2-yl)methoxy]benzenethiol Traditional Name: 2-methyl-4-[(1-methyl-5-nitro-imidazol-2-yl)methoxy]benzenethiol Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC=C(N2C)[N+](=O)[O-])S

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC=C(N2C)[N+](=O)[O-])S

InChI

InChI=1S/C12H13N3O3S/c1-8-5-9(3-4-10(8)19)18-7-11-13-6-12(14(11)2)15(16)17/h3-6,19H,7H2,1-2H3