5-oxidanidyl-4-phenylsulfanyl-N-propan-2-yl-1,2,5-oxadiazol-5-ium-3-carboxamide

Systemtic Name: 5-oxidanidyl-4-phenylsulfanyl-N-propan-2-yl-1,2,5-oxadiazol-5-ium-3-carboxamide Openeye Name: N-isopropyl-5-oxido-4-phenylsulfanyl-1,2,5-oxadiazol-5-ium-3-carboxamide CAS Name: 5-oxido-4-(phenylthio)-N-propan-2-yl-1,2,5-oxadiazol-5-ium-3-carboxamide IUPAC Name: 5-oxido-4-phenylsulfanyl-N-propan-2-yl-1,2,5-oxadiazol-5-ium-3-carboxamide Traditional Name: N-isopropyl-5-oxido-4-(phenylthio)furazan-5-ium-3-carboxamide Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=NO[N+](=C1SC2=CC=CC=C2)[O-]

Isomeric SMILES

CC(C)NC(=O)C1=NO[N+](=C1SC2=CC=CC=C2)[O-]

InChI

InChI=1S/C12H13N3O3S/c1-8(2)13-11(16)10-12(15(17)18-14-10)19-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,16)