sodium 2-[(4Z)-5-azanylidene-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]pyrazol-1-yl]ethanesulfonate

Systemtic Name: sodium 2-[(4Z)-5-azanylidene-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]pyrazol-1-yl]ethanesulfonate Openeye Name: sodium 2-[(4Z)-5-imino-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)hydrazono]pyrazol-1-yl]ethanesulfonate CAS Name: sodium 2-[(4Z)-5-imino-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-1-pyrazolyl]ethanesulfonate IUPAC Name: sodium 2-[(4Z)-5-imino-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]pyrazol-1-yl]ethanesulfonate Traditional Name: sodium 2-[(4Z)-5-imino-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)hydrazono]-2-pyrazolin-1-yl]ethanesulfonate Formula: C14H14N7NaO3S2 MolecularWeight: 415.42583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N)C1=NNC2=NC(=NS2)C3=CC=CC=C3)CCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC\1=NN(C(=N)/C1=N\NC2=NC(=NS2)C3=CC=CC=C3)CCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H15N7O3S2.Na/c1-9-11(12(15)21(19-9)7-8-26(22,23)24)17-18-14-16-13(20-25-14)10-5-3-2-4-6-10;/h2-6,15H,7-8H2,1H3,(H,16,18,20)(H,22,23,24);/q;+1/p-1/b15-12?,17-11-;