N-ethyl-2-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine

Systemtic Name: N-ethyl-2-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine Openeye Name: N-ethyl-2-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine CAS Name: N-ethyl-2-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-quinazolinamine IUPAC Name: N-ethyl-2-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine Traditional Name: ethyl-[2-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylthio]quinazolin-4-yl]amine Formula: C19H16N6O3S MolecularWeight: 408.43374

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC3=NC(=NO3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC3=NC(=NO3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N6O3S/c1-2-20-18-14-5-3-4-6-15(14)21-19(23-18)29-11-16-22-17(24-28-16)12-7-9-13(10-8-12)25(26)27/h3-10H,2,11H2,1H3,(H,20,21,23)