(6E)-3-butyl-6-(5-heptyl-1H-pyrimidin-2-ylidene)cyclohexa-2,4-diene-1-thione

Systemtic Name: (6E)-3-butyl-6-(5-heptyl-1H-pyrimidin-2-ylidene)cyclohexa-2,4-diene-1-thione Openeye Name: (6E)-3-butyl-6-(5-heptyl-1H-pyrimidin-2-ylidene)cyclohexa-2,4-diene-1-thione CAS Name: (6E)-3-butyl-6-(5-heptyl-1H-pyrimidin-2-ylidene)-1-cyclohexa-2,4-dienethione IUPAC Name: (6E)-3-butyl-6-(5-heptyl-1H-pyrimidin-2-ylidene)cyclohexa-2,4-diene-1-thione Traditional Name: (6E)-3-butyl-6-(5-heptyl-1H-pyrimidin-2-ylidene)cyclohexa-2,4-diene-1-thione Formula: C21H30N2S MolecularWeight: 342.5413

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CNC(=C2C=CC(=CC2=S)CCCC)N=C1

Isomeric SMILES

CCCCCCCC1=CN/C(=C\2/C=CC(=CC2=S)CCCC)/N=C1

InChI

InChI=1S/C21H30N2S/c1-3-5-7-8-9-11-18-15-22-21(23-16-18)19-13-12-17(10-6-4-2)14-20(19)24/h12-16,22H,3-11H2,1-2H3/b21-19+