2,6-dimethyl-N-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]aniline

Systemtic Name: 2,6-dimethyl-N-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]aniline Openeye Name: 2,6-dimethyl-N-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]aniline CAS Name: 2,6-dimethyl-N-[[4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: 2,6-dimethyl-N-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]aniline Traditional Name: (2,6-dimethylphenyl)-[[4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]methyl]amine Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NCC2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NCC2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O2S/c1-13-5-4-6-14(2)18(13)20-11-17-21-22-19(23(17)3)27-12-15-7-9-16(10-8-15)24(25)26/h4-10,20H,11-12H2,1-3H3