sodium 3-[methylsulfanyl-[10-(phenylmethyl)acridin-9-ylidene]methyl]sulfanylpropane-1-sulfonate

Systemtic Name: sodium 3-[methylsulfanyl-[10-(phenylmethyl)acridin-9-ylidene]methyl]sulfanylpropane-1-sulfonate Openeye Name: sodium 3-[(10-benzylacridin-9-ylidene)-methylsulfanyl-methyl]sulfanylpropane-1-sulfonate CAS Name: sodium 3-[[(methylthio)-[10-(phenylmethyl)-9-acridinylidene]methyl]thio]-1-propanesulfonate IUPAC Name: sodium 3-[(10-benzylacridin-9-ylidene)-methylsulfanylmethyl]sulfanylpropane-1-sulfonate Traditional Name: sodium 3-[[(10-benzylacridin-9-ylidene)-(methylthio)methyl]thio]propane-1-sulfonate Formula: C25H24NNaO3S3 MolecularWeight: 505.64773

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO3S3.Na/c1-30-25(31-16-9-17-32(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