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

Systemtic Name: sodium 3-[(4Z)-5-azanylidene-3-tert-butyl-4-(1,2,4-thiadiazol-5-ylhydrazinylidene)pyrazol-1-yl]propane-1-sulfonate Openeye Name: sodium 3-[(4Z)-3-tert-butyl-5-imino-4-(1,2,4-thiadiazol-5-ylhydrazono)pyrazol-1-yl]propane-1-sulfonate CAS Name: sodium 3-[(4Z)-3-tert-butyl-5-imino-4-(1,2,4-thiadiazol-5-ylhydrazinylidene)-1-pyrazolyl]-1-propanesulfonate IUPAC Name: sodium 3-[(4Z)-3-tert-butyl-5-imino-4-(1,2,4-thiadiazol-5-ylhydrazinylidene)pyrazol-1-yl]propane-1-sulfonate Traditional Name: sodium 3-[(4Z)-3-tert-butyl-5-imino-4-(1,2,4-thiadiazol-5-ylhydrazono)-2-pyrazolin-1-yl]propane-1-sulfonate Formula: C12H18N7NaO3S2 MolecularWeight: 395.43619

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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-].[Na+]

Isomeric SMILES

CC(C)(C)C\1=NN(C(=N)/C1=N\NC2=NC=NS2)CCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H19N7O3S2.Na/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);/q;+1/p-1/b13-10?,16-8-;