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

Systemtic Name: 4-methoxy-N-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]aniline Openeye Name: 4-methoxy-N-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]aniline CAS Name: 4-methoxy-N-[[4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: 4-methoxy-N-[[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]aniline Traditional Name: (4-methoxyphenyl)-[[4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]methyl]amine Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CNC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CNC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H19N5O3S/c1-22-17(11-19-14-5-9-16(26-2)10-6-14)20-21-18(22)27-12-13-3-7-15(8-4-13)23(24)25/h3-10,19H,11-12H2,1-2H3