(6E)-6-(5-butyl-4-phenyl-1-sulfanyl-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-(5-butyl-4-phenyl-1-sulfanyl-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-(5-butyl-4-phenyl-1-sulfanyl-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-(5-butyl-1-mercapto-4-phenyl-1,2,4-triazolidin-3-ylidene)-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-(5-butyl-4-phenyl-1-sulfanyl-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-(5-butyl-1-mercapto-4-phenyl-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C(=C2C=CC=CC2=O)NN1S)C3=CC=CC=C3

Isomeric SMILES

CCCCC1N(/C(=C\2/C=CC=CC2=O)/NN1S)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3OS/c1-2-3-13-17-20(14-9-5-4-6-10-14)18(19-21(17)23)15-11-7-8-12-16(15)22/h4-12,17,19,23H,2-3,13H2,1H3/b18-15-