4-(4-butyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(4-butyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 4-(4-butyl-5-thioxo-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 4-(4-butyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 4-(4-butyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 4-(4-butyl-5-thioxo-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one Formula: C12H15N3OS MolecularWeight: 249.332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C2C=CC(=O)C=C2)NNC1=S

Isomeric SMILES

CCCCN1C(=C2C=CC(=O)C=C2)NNC1=S

InChI

InChI=1S/C12H15N3OS/c1-2-3-8-15-11(13-14-12(15)17)9-4-6-10(16)7-5-9/h4-7,13H,2-3,8H2,1H3,(H,14,17)