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

Systemtic Name: (6E)-3-heptyl-6-(5-octyl-1H-pyrimidin-2-ylidene)cyclohexa-2,4-diene-1-thione Openeye Name: (6E)-3-heptyl-6-(5-octyl-1H-pyrimidin-2-ylidene)cyclohexa-2,4-diene-1-thione CAS Name: (6E)-3-heptyl-6-(5-octyl-1H-pyrimidin-2-ylidene)-1-cyclohexa-2,4-dienethione IUPAC Name: (6E)-3-heptyl-6-(5-octyl-1H-pyrimidin-2-ylidene)cyclohexa-2,4-diene-1-thione Traditional Name: (6E)-3-heptyl-6-(5-octyl-1H-pyrimidin-2-ylidene)cyclohexa-2,4-diene-1-thione Formula: C25H38N2S MolecularWeight: 398.64762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CNC(=C2C=CC(=CC2=S)CCCCCCC)N=C1

Isomeric SMILES

CCCCCCCCC1=CN/C(=C\2/C=CC(=CC2=S)CCCCCCC)/N=C1

InChI

InChI=1S/C25H38N2S/c1-3-5-7-9-11-13-15-22-19-26-25(27-20-22)23-17-16-21(18-24(23)28)14-12-10-8-6-4-2/h16-20,26H,3-15H2,1-2H3/b25-23+