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

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

CCCCNC1=NNC(=C2C=CC(=O)C=C2O)S1

Isomeric SMILES

CCCCNC1=NN/C(=C/2\C=CC(=O)C=C2O)/S1

InChI

InChI=1S/C12H15N3O2S/c1-2-3-6-13-12-15-14-11(18-12)9-5-4-8(16)7-10(9)17/h4-5,7,14,17H,2-3,6H2,1H3,(H,13,15)/b11-9-