4-[5-(1-azanyl-3-methylsulfonyl-propyl)-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-(1-azanyl-3-methylsulfonyl-propyl)-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-(1-amino-3-methylsulfonyl-propyl)-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-(1-amino-3-methylsulfonylpropyl)-1,2,4-oxadiazol-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-(1-amino-3-methylsulfonylpropyl)-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-(1-amino-3-mesyl-propyl)-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C1=NC(=C2C=CC(=O)C=C2)NO1)N

Isomeric SMILES

CS(=O)(=O)CCC(C1=NC(=C2C=CC(=O)C=C2)NO1)N

InChI

InChI=1S/C12H15N3O4S/c1-20(17,18)7-6-10(13)12-14-11(15-19-12)8-2-4-9(16)5-3-8/h2-5,10,15H,6-7,13H2,1H3