2-[[5-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(2-methyl-5-nitro-1-imidazolyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C15H14N6O4S MolecularWeight: 374.37446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H14N6O4S/c1-10-16-7-13(21(24)25)19(10)8-12-17-18-15(26-9-14(22)23)20(12)11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,22,23)