2-hexylsulfanylbenzo[e]isoindole-1,3-diimine

Systemtic Name: 2-hexylsulfanylbenzo[e]isoindole-1,3-diimine Openeye Name: 2-hexylsulfanylbenzo[e]isoindole-1,3-diimine CAS Name: 2-(hexylthio)benzo[e]isoindole-1,3-diimine IUPAC Name: 2-hexylsulfanylbenzo[e]isoindole-1,3-diimine Traditional Name: [2-(hexylthio)-1-imino-benz[e]isoindol-3-ylidene]amine Formula: C18H21N3S MolecularWeight: 311.44444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSN1C(=N)C2=C(C1=N)C3=CC=CC=C3C=C2

Isomeric SMILES

CCCCCCSN1C(=N)C2=C(C1=N)C3=CC=CC=C3C=C2

InChI

InChI=1S/C18H21N3S/c1-2-3-4-7-12-22-21-17(19)15-11-10-13-8-5-6-9-14(13)16(15)18(21)20/h5-6,8-11,19-20H,2-4,7,12H2,1H3