4-[(E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-oxido-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-3-oxido-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-oxido-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-3-oxido-prop-1-enyl]benzoate Formula: C13H9N3O4S-2 MolecularWeight: 303.29326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(=CC2=CC=C(C=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=NC(=NN1)S/C(=C/C2=CC=C(C=C2)C(=O)[O-])/C(=O)[O-]

InChI

InChI=1S/C13H11N3O4S/c1-7-14-13(16-15-7)21-10(12(19)20)6-8-2-4-9(5-3-8)11(17)18/h2-6H,1H3,(H,17,18)(H,19,20)(H,14,15,16)/p-2/b10-6+