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

Systemtic Name: 2-[(4Z)-5-azanylidene-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]pyrazol-1-yl]ethanesulfonic acid Openeye Name: 2-[(4Z)-5-imino-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)hydrazono]pyrazol-1-yl]ethanesulfonic acid CAS Name: 2-[(4Z)-5-imino-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]-1-pyrazolyl]ethanesulfonic acid IUPAC Name: 2-[(4Z)-5-imino-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)hydrazinylidene]pyrazol-1-yl]ethanesulfonic acid Traditional Name: 2-[(4Z)-5-imino-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)hydrazono]-2-pyrazolin-1-yl]ethanesulfonic acid Formula: C14H15N7O3S2 MolecularWeight: 393.444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N)C1=NNC2=NC(=NS2)C3=CC=CC=C3)CCS(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H15N7O3S2/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)/b15-12?,17-11-