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

Systemtic Name: 6-ethoxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinoline-3-carbonitrile Openeye Name: 6-ethoxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinoline-3-carbonitrile CAS Name: 6-ethoxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-3-quinolinecarbonitrile IUPAC Name: 6-ethoxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinoline-3-carbonitrile Traditional Name: 6-ethoxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]quinoline-3-carbonitrile Formula: C21H15N5O4S MolecularWeight: 433.4399

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O4S/c1-2-29-17-7-8-18-14(10-17)9-15(11-22)21(23-18)31-12-19-24-25-20(30-19)13-3-5-16(6-4-13)26(27)28/h3-10H,2,12H2,1H3