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

Systemtic Name: 4-[4-(phenylmethylsulfanyl)quinolin-3-yl]sulfanylquinoline-3-thiol Openeye Name: 4-[(4-benzylsulfanyl-3-quinolyl)sulfanyl]quinoline-3-thiol CAS Name: 4-[[4-(phenylmethylthio)-3-quinolinyl]thio]-3-quinolinethiol IUPAC Name: 4-(4-benzylsulfanylquinolin-3-yl)sulfanylquinoline-3-thiol Traditional Name: 4-[[4-(benzylthio)-3-quinolyl]thio]quinoline-3-thiol Formula: C25H18N2S3 MolecularWeight: 442.61882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=NC3=CC=CC=C32)SC4=C(C=NC5=CC=CC=C54)S

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=NC3=CC=CC=C32)SC4=C(C=NC5=CC=CC=C54)S

InChI

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