(4E)-4-[5-(tert-butylamino)-3H-1,3,4-thiadiazol-2-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-[5-(tert-butylamino)-3H-1,3,4-thiadiazol-2-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[5-(tert-butylamino)-3H-1,3,4-thiadiazol-2-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[5-(tert-butylamino)-3H-1,3,4-thiadiazol-2-ylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[5-(tert-butylamino)-3H-1,3,4-thiadiazol-2-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[5-(tert-butylamino)-3H-1,3,4-thiadiazol-2-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NNC(=C2C=CC(=O)C=C2O)S1

Isomeric SMILES

CC(C)(C)NC1=NN/C(=C\2/C=CC(=O)C=C2O)/S1

InChI

InChI=1S/C12H15N3O2S/c1-12(2,3)13-11-15-14-10(18-11)8-5-4-7(16)6-9(8)17/h4-6,14,17H,1-3H3,(H,13,15)/b10-8+