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

Systemtic Name: N-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2,4-dimethyl-aniline Openeye Name: N-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2,4-dimethyl-aniline CAS Name: N-[[4-ethyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-2,4-dimethylaniline IUPAC Name: N-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2,4-dimethylaniline Traditional Name: (2,4-dimethylphenyl)-[[4-ethyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]methyl]amine Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O2S/c1-4-24-19(12-21-18-10-5-14(2)11-15(18)3)22-23-20(24)28-13-16-6-8-17(9-7-16)25(26)27/h5-11,21H,4,12-13H2,1-3H3