3-azanylidene-4,5,6,7-tetrakis(phenylsulfanyl)isoindol-1-amine ethanoate

Systemtic Name: 3-azanylidene-4,5,6,7-tetrakis(phenylsulfanyl)isoindol-1-amine ethanoate Openeye Name: 3-imino-4,5,6,7-tetrakis(phenylsulfanyl)isoindol-1-amine acetate CAS Name: 3-imino-4,5,6,7-tetrakis(phenylthio)-1-isoindolamine acetate IUPAC Name: 3-imino-4,5,6,7-tetrakis(phenylsulfanyl)isoindol-1-amine acetate Traditional Name: [3-imino-4,5,6,7-tetrakis(phenylthio)isoindol-1-yl]amine acetate Formula: C34H26N3O2S4- MolecularWeight: 636.84914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C(C=C1)SC2=C(C(=C(C3=C2C(=NC3=N)N)SC4=CC=CC=C4)SC5=CC=CC=C5)SC6=CC=CC=C6

Isomeric SMILES

CC(=O)[O-].C1=CC=C(C=C1)SC2=C(C(=C(C3=C2C(=NC3=N)N)SC4=CC=CC=C4)SC5=CC=CC=C5)SC6=CC=CC=C6

InChI

InChI=1S/C32H23N3S4.C2H4O2/c33-31-25-26(32(34)35-31)28(37-22-15-7-2-8-16-22)30(39-24-19-11-4-12-20-24)29(38-23-17-9-3-10-18-23)27(25)36-21-13-5-1-6-14-21;1-2(3)4/h1-20H,(H3,33,34,35);1H3,(H,3,4)/p-1