6-methyl-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinoline-3-carbonitrile

Systemtic Name: 6-methyl-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinoline-3-carbonitrile Openeye Name: 6-methyl-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinoline-3-carbonitrile CAS Name: 6-methyl-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-3-quinolinecarbonitrile IUPAC Name: 6-methyl-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinoline-3-carbonitrile Traditional Name: 6-methyl-2-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]quinoline-3-carbonitrile Formula: C20H13N5O3S MolecularWeight: 403.41392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC3=NN=C(O3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC3=NN=C(O3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H13N5O3S/c1-12-6-7-16-13(8-12)9-14(10-21)20(22-16)29-11-18-23-24-19(28-18)15-4-2-3-5-17(15)25(26)27/h2-9H,11H2,1H3