3-(3-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-propyl-1,2,4-triazole

Systemtic Name: 3-(3-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-propyl-1,2,4-triazole Openeye Name: 3-(m-tolyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-propyl-1,2,4-triazole CAS Name: 3-(3-methylphenyl)-5-[(4-nitrophenyl)methylthio]-4-propyl-1,2,4-triazole IUPAC Name: 3-(3-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-propyl-1,2,4-triazole Traditional Name: 3-(m-tolyl)-5-[(4-nitrobenzyl)thio]-4-propyl-1,2,4-triazole Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)C

Isomeric SMILES

CCCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)C

InChI

InChI=1S/C19H20N4O2S/c1-3-11-22-18(16-6-4-5-14(2)12-16)20-21-19(22)26-13-15-7-9-17(10-8-15)23(24)25/h4-10,12H,3,11,13H2,1-2H3