5-[(4Z)-5-azanylidene-3-tert-butyl-4-(1,2,4-thiadiazol-5-ylhydrazinylidene)pyrazol-1-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(4Z)-5-azanylidene-3-tert-butyl-4-(1,2,4-thiadiazol-5-ylhydrazinylidene)pyrazol-1-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(4Z)-3-tert-butyl-5-imino-4-(1,2,4-thiadiazol-5-ylhydrazono)pyrazol-1-yl]benzene-1,3-dicarboxylic acid CAS Name: 5-[(4Z)-3-tert-butyl-5-imino-4-(1,2,4-thiadiazol-5-ylhydrazinylidene)-1-pyrazolyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(4Z)-3-tert-butyl-5-imino-4-(1,2,4-thiadiazol-5-ylhydrazinylidene)pyrazol-1-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(4Z)-3-tert-butyl-5-imino-4-(1,2,4-thiadiazol-5-ylhydrazono)-2-pyrazolin-1-yl]isophthalic acid Formula: C17H17N7O4S MolecularWeight: 415.42638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=N)C1=NNC2=NC=NS2)C3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C\1=NN(C(=N)/C1=N\NC2=NC=NS2)C3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C17H17N7O4S/c1-17(2,3)12-11(21-22-16-19-7-20-29-16)13(18)24(23-12)10-5-8(14(25)26)4-9(6-10)15(27)28/h4-7,18H,1-3H3,(H,25,26)(H,27,28)(H,19,20,22)/b18-13?,21-11-