2-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methylsulfanyl]-5-(3-methylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methylsulfanyl]-5-(3-methylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(2-chloro-7-methylsulfanyl-3-quinolyl)methylsulfanyl]-5-(m-tolyl)-1,3,4-oxadiazole CAS Name: 2-[[2-chloro-7-(methylthio)-3-quinolinyl]methylthio]-5-(3-methylphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(2-chloro-7-methylsulfanylquinolin-3-yl)methylsulfanyl]-5-(3-methylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[[2-chloro-7-(methylthio)-3-quinolyl]methylthio]-5-(m-tolyl)-1,3,4-oxadiazole Formula: C20H16ClN3OS2 MolecularWeight: 413.94354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(O2)SCC3=C(N=C4C=C(C=CC4=C3)SC)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(O2)SCC3=C(N=C4C=C(C=CC4=C3)SC)Cl

InChI

InChI=1S/C20H16ClN3OS2/c1-12-4-3-5-14(8-12)19-23-24-20(25-19)27-11-15-9-13-6-7-16(26-2)10-17(13)22-18(15)21/h3-10H,11H2,1-2H3