N-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxy-aniline

Systemtic Name: N-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxy-aniline Openeye Name: N-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxy-aniline CAS Name: N-[[4-ethyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-4-methoxyaniline IUPAC Name: N-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxyaniline Traditional Name: [4-ethyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]methyl-(4-methoxyphenyl)amine Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CNC3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CNC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H21N5O3S/c1-3-23-18(12-20-15-6-10-17(27-2)11-7-15)21-22-19(23)28-13-14-4-8-16(9-5-14)24(25)26/h4-11,20H,3,12-13H2,1-2H3