2-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methylsulfanyl]-5-(phenylmethyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methylsulfanyl]-5-(phenylmethyl)-1,3,4-oxadiazole Openeye Name: 2-benzyl-5-[(2-chloro-7,8-dimethyl-3-quinolyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-[(2-chloro-7,8-dimethyl-3-quinolinyl)methylthio]-5-(phenylmethyl)-1,3,4-oxadiazole IUPAC Name: 2-benzyl-5-[(2-chloro-7,8-dimethylquinolin-3-yl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-benzyl-5-[(2-chloro-7,8-dimethyl-3-quinolyl)methylthio]-1,3,4-oxadiazole Formula: C21H18ClN3OS MolecularWeight: 395.90512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(O3)CC4=CC=CC=C4)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(O3)CC4=CC=CC=C4)Cl)C

InChI

InChI=1S/C21H18ClN3OS/c1-13-8-9-16-11-17(20(22)23-19(16)14(13)2)12-27-21-25-24-18(26-21)10-15-6-4-3-5-7-15/h3-9,11H,10,12H2,1-2H3