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

Systemtic Name: 3-[(4Z)-5-azanylidene-3-tert-butyl-4-(1,2,4-thiadiazol-5-ylhydrazinylidene)pyrazol-1-yl]propane-1-sulfonic acid Openeye Name: 3-[(4Z)-3-tert-butyl-5-imino-4-(1,2,4-thiadiazol-5-ylhydrazono)pyrazol-1-yl]propane-1-sulfonic acid CAS Name: 3-[(4Z)-3-tert-butyl-5-imino-4-(1,2,4-thiadiazol-5-ylhydrazinylidene)-1-pyrazolyl]-1-propanesulfonic acid IUPAC Name: 3-[(4Z)-3-tert-butyl-5-imino-4-(1,2,4-thiadiazol-5-ylhydrazinylidene)pyrazol-1-yl]propane-1-sulfonic acid Traditional Name: 3-[(4Z)-3-tert-butyl-5-imino-4-(1,2,4-thiadiazol-5-ylhydrazono)-2-pyrazolin-1-yl]propane-1-sulfonic acid Formula: C12H19N7O3S2 MolecularWeight: 373.45436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N7O3S2/c1-12(2,3)9-8(16-17-11-14-7-15-23-11)10(13)19(18-9)5-4-6-24(20,21)22/h7,13H,4-6H2,1-3H3,(H,14,15,17)(H,20,21,22)/b13-10?,16-8-