2-[1,3-bis(azanylidene)-4,7-bis(2-ethoxyethoxy)-5-hexan-2-ylsulfanyl-isoindol-2-yl]sulfanylaniline

Systemtic Name: 2-[1,3-bis(azanylidene)-4,7-bis(2-ethoxyethoxy)-5-hexan-2-ylsulfanyl-isoindol-2-yl]sulfanylaniline Openeye Name: 2-[4,7-bis(2-ethoxyethoxy)-1,3-diimino-5-(1-methylpentylsulfanyl)isoindolin-2-yl]sulfanylaniline CAS Name: 2-[[4,7-bis(2-ethoxyethoxy)-5-(hexan-2-ylthio)-1,3-diimino-2-isoindolyl]thio]aniline IUPAC Name: 2-[4,7-bis(2-ethoxyethoxy)-5-hexan-2-ylsulfanyl-1,3-diiminoisoindol-2-yl]sulfanylaniline Traditional Name: [2-[[4,7-bis(2-ethoxyethoxy)-1,3-diimino-5-(1-methylpentylthio)isoindolin-2-yl]thio]phenyl]amine Formula: C28H40N4O4S2 MolecularWeight: 560.7716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)SC1=C(C2=C(C(=C1)OCCOCC)C(=N)N(C2=N)SC3=CC=CC=C3N)OCCOCC

Isomeric SMILES

CCCCC(C)SC1=C(C2=C(C(=C1)OCCOCC)C(=N)N(C2=N)SC3=CC=CC=C3N)OCCOCC

InChI

InChI=1S/C28H40N4O4S2/c1-5-8-11-19(4)37-23-18-21(35-16-14-33-6-2)24-25(26(23)36-17-15-34-7-3)28(31)32(27(24)30)38-22-13-10-9-12-20(22)29/h9-10,12-13,18-19,30-31H,5-8,11,14-17,29H2,1-4H3