2-[1,3-bis(azanylidene)-5-chloranyl-4,7-bis(3-methylbutoxy)isoindol-2-yl]sulfanylaniline

Systemtic Name: 2-[1,3-bis(azanylidene)-5-chloranyl-4,7-bis(3-methylbutoxy)isoindol-2-yl]sulfanylaniline Openeye Name: 2-(5-chloro-1,3-diimino-4,7-diisopentyloxy-isoindolin-2-yl)sulfanylaniline CAS Name: 2-[[5-chloro-1,3-diimino-4,7-bis(3-methylbutoxy)-2-isoindolyl]thio]aniline IUPAC Name: 2-[5-chloro-1,3-diimino-4,7-bis(3-methylbutoxy)isoindol-2-yl]sulfanylaniline Traditional Name: [2-[(5-chloro-1,3-diimino-4,7-diisoamoxy-isoindolin-2-yl)thio]phenyl]amine Formula: C24H31ClN4O2S MolecularWeight: 475.04654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC(=C(C2=C1C(=N)N(C2=N)SC3=CC=CC=C3N)OCCC(C)C)Cl

Isomeric SMILES

CC(C)CCOC1=CC(=C(C2=C1C(=N)N(C2=N)SC3=CC=CC=C3N)OCCC(C)C)Cl

InChI

InChI=1S/C24H31ClN4O2S/c1-14(2)9-11-30-18-13-16(25)22(31-12-10-15(3)4)21-20(18)23(27)29(24(21)28)32-19-8-6-5-7-17(19)26/h5-8,13-15,27-28H,9-12,26H2,1-4H3