N-methyl-1-(4-methylsulfanylphenyl)-N-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]methanamine

Systemtic Name: N-methyl-1-(4-methylsulfanylphenyl)-N-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]methanamine Openeye Name: N-methyl-1-(4-methylsulfanylphenyl)-N-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]methanamine CAS Name: N-methyl-1-[4-(methylthio)phenyl]-N-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]methanamine IUPAC Name: N-methyl-1-(4-methylsulfanylphenyl)-N-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]methanamine Traditional Name: methyl-[4-(methylthio)benzyl]-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]amine Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)CN2C=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)CN2C=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O2S/c1-21(11-14-3-9-17(26-2)10-4-14)13-22-12-19-18(20-22)15-5-7-16(8-6-15)23(24)25/h3-10,12H,11,13H2,1-2H3