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

Systemtic Name: butyl 2-[[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C12H15N5O4S2 MolecularWeight: 357.4086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NN=C(S1)C2=NC=C(N2C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)CSC1=NN=C(S1)C2=NC=C(N2C)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O4S2/c1-3-4-5-21-9(18)7-22-12-15-14-11(23-12)10-13-6-8(16(10)2)17(19)20/h6H,3-5,7H2,1-2H3