sodium 3-[methylsulfanyl-[10-(phenylmethyl)acridin-9-ylidene]methyl]sulfanylpropyl sulfate

Systemtic Name: sodium 3-[methylsulfanyl-[10-(phenylmethyl)acridin-9-ylidene]methyl]sulfanylpropyl sulfate Openeye Name: sodium 3-[(10-benzylacridin-9-ylidene)-methylsulfanyl-methyl]sulfanylpropyl sulfate CAS Name: sodium 3-[[(methylthio)-[10-(phenylmethyl)-9-acridinylidene]methyl]thio]propyl sulfate IUPAC Name: sodium 3-[(10-benzylacridin-9-ylidene)-methylsulfanylmethyl]sulfanylpropyl sulfate Traditional Name: sodium 3-[[(10-benzylacridin-9-ylidene)-(methylthio)methyl]thio]propyl sulfate Formula: C25H24NNaO4S3 MolecularWeight: 521.64713

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C1C2=CC=CC=C2N(C3=CC=CC=C31)CC4=CC=CC=C4)SCCCOS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CSC(=C1C2=CC=CC=C2N(C3=CC=CC=C31)CC4=CC=CC=C4)SCCCOS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C25H25NO4S3.Na/c1-31-25(32-17-9-16-30-33(27,28)29)24-20-12-5-7-14-22(20)26(18-19-10-3-2-4-11-19)23-15-8-6-13-21(23)24;/h2-8,10-15H,9,16-18H2,1H3,(H,27,28,29);/q;+1/p-1