8-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methoxy]quinoline

Systemtic Name: 8-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methoxy]quinoline Openeye Name: 8-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methoxy]quinoline CAS Name: 8-[[4-ethyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]methoxy]quinoline IUPAC Name: 8-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methoxy]quinoline Traditional Name: 8-[[4-ethyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]methoxy]quinoline Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])COC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])COC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H19N5O3S/c1-2-25-19(13-29-18-7-3-5-16-6-4-12-22-20(16)18)23-24-21(25)30-14-15-8-10-17(11-9-15)26(27)28/h3-12H,2,13-14H2,1H3