5-(2-aminophenyl)sulfanyl-3-azanylidene-4,7-diethoxy-6-nonylsulfanyl-isoindol-1-amine

Systemtic Name: 5-(2-aminophenyl)sulfanyl-3-azanylidene-4,7-diethoxy-6-nonylsulfanyl-isoindol-1-amine Openeye Name: 5-(2-aminophenyl)sulfanyl-4,7-diethoxy-3-imino-6-nonylsulfanyl-isoindol-1-amine CAS Name: 5-[(2-aminophenyl)thio]-4,7-diethoxy-3-imino-6-(nonylthio)-1-isoindolamine IUPAC Name: 5-(2-aminophenyl)sulfanyl-4,7-diethoxy-3-imino-6-nonylsulfanylisoindol-1-amine Traditional Name: [2-[[1-amino-4,7-diethoxy-3-imino-6-(nonylthio)isoindol-5-yl]thio]phenyl]amine Formula: C27H38N4O2S2 MolecularWeight: 514.74622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=C(C2=C(C(=C1SC3=CC=CC=C3N)OCC)C(=N)N=C2N)OCC

Isomeric SMILES

CCCCCCCCCSC1=C(C2=C(C(=C1SC3=CC=CC=C3N)OCC)C(=N)N=C2N)OCC

InChI

InChI=1S/C27H38N4O2S2/c1-4-7-8-9-10-11-14-17-34-24-22(32-5-2)20-21(27(30)31-26(20)29)23(33-6-3)25(24)35-19-16-13-12-15-18(19)28/h12-13,15-16H,4-11,14,17,28H2,1-3H3,(H3,29,30,31)