4-(2,4-dimethylphenyl)-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-(2,4-dimethylphenyl)-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(2,4-dimethylphenyl)-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-(2,4-dimethylphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-(2,4-dimethylphenyl)-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(2,4-dimethylphenyl)-3-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H16N4O2S/c1-12-3-8-16(13(2)9-12)20-11-18-19-17(20)24-10-14-4-6-15(7-5-14)21(22)23/h3-9,11H,10H2,1-2H3