1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(4-methylphenyl)sulfanylmethyl]-N'-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethyl]-1,2,3-triazole-4-carbohydrazide

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(4-methylphenyl)sulfanylmethyl]-N'-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethyl]-1,2,3-triazole-4-carbohydrazide Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]-5-(p-tolylsulfanylmethyl)triazole-4-carbohydrazide CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(4-methylphenyl)thio]methyl]-N'-[1-(4-oxo-1-cyclohexa-2,5-dienylidene)ethyl]-4-triazolecarbohydrazide IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylphenyl)sulfanylmethyl]-N'-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]triazole-4-carbohydrazide Traditional Name: 1-(4-aminofurazan-3-yl)-N'-[1-(4-ketocyclohexa-2,5-dien-1-ylidene)ethyl]-5-[(p-tolylthio)methyl]triazole-4-carbohydrazide Formula: C21H20N8O3S MolecularWeight: 464.5003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NNC(=C4C=CC(=O)C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NNC(=C4C=CC(=O)C=C4)C

InChI

InChI=1S/C21H20N8O3S/c1-12-3-9-16(10-4-12)33-11-17-18(24-28-29(17)20-19(22)26-32-27-20)21(31)25-23-13(2)14-5-7-15(30)8-6-14/h3-10,23H,11H2,1-2H3,(H2,22,26)(H,25,31)