3-[4-(phenylmethylsulfanyl)quinolin-3-yl]sulfanylquinoline-4-thiolate

Systemtic Name: 3-[4-(phenylmethylsulfanyl)quinolin-3-yl]sulfanylquinoline-4-thiolate Openeye Name: 3-[(4-benzylsulfanyl-3-quinolyl)sulfanyl]quinoline-4-thiolate CAS Name: 3-[[4-(phenylmethylthio)-3-quinolinyl]thio]-4-quinolinethiolate IUPAC Name: 3-(4-benzylsulfanylquinolin-3-yl)sulfanylquinoline-4-thiolate Traditional Name: 3-[[4-(benzylthio)-3-quinolyl]thio]quinoline-4-thiolate Formula: C25H17N2S3- MolecularWeight: 441.61088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=NC3=CC=CC=C32)SC4=C(C5=CC=CC=C5N=C4)[S-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=NC3=CC=CC=C32)SC4=C(C5=CC=CC=C5N=C4)[S-]

InChI

InChI=1S/C25H18N2S3/c28-24-18-10-4-6-12-20(18)26-14-22(24)30-23-15-27-21-13-7-5-11-19(21)25(23)29-16-17-8-2-1-3-9-17/h1-15H,16H2,(H,26,28)/p-1