2-[[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]methyl]-4-nitro-phenolate Formula: C11H10N5O4S2- MolecularWeight: 340.3582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CNC(=O)CSC2=NN=C(S2)N)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])CNC(=O)CSC2=NN=C(S2)N)[O-]

InChI

InChI=1S/C11H11N5O4S2/c12-10-14-15-11(22-10)21-5-9(18)13-4-6-3-7(16(19)20)1-2-8(6)17/h1-3,17H,4-5H2,(H2,12,14)(H,13,18)/p-1