2-[4,5-bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-benzodithiole-5,6-diamine

Systemtic Name: 2-[4,5-bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-benzodithiole-5,6-diamine Openeye Name: 2-[4,5-bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-benzodithiole-5,6-diamine CAS Name: 2-[4,5-bis(hexylthio)-1,3-dithiol-2-ylidene]-1,3-benzodithiole-5,6-diamine IUPAC Name: 2-[4,5-bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-benzodithiole-5,6-diamine Traditional Name: [5-amino-2-[4,5-bis(hexylthio)-1,3-dithiol-2-ylidene]-1,3-benzodithiol-6-yl]amine Formula: C22H32N2S6 MolecularWeight: 516.89288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(SC(=C2SC3=C(S2)C=C(C(=C3)N)N)S1)SCCCCCC

Isomeric SMILES

CCCCCCSC1=C(SC(=C2SC3=C(S2)C=C(C(=C3)N)N)S1)SCCCCCC

InChI

InChI=1S/C22H32N2S6/c1-3-5-7-9-11-25-19-20(26-12-10-8-6-4-2)30-22(29-19)21-27-17-13-15(23)16(24)14-18(17)28-21/h13-14H,3-12,23-24H2,1-2H3