(phenylmethyl) 2-[[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(1-methyl-5-nitro-2-imidazolyl)-1,3,4-thiadiazol-2-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]thio]acetic acid benzyl ester Formula: C15H13N5O4S2 MolecularWeight: 391.42482

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C2=NN=C(S2)SCC(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C2=NN=C(S2)SCC(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O4S2/c1-19-11(20(22)23)7-16-13(19)14-17-18-15(26-14)25-9-12(21)24-8-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3