4-methyl-3-(naphthalen-1-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-methyl-3-(naphthalen-1-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-methyl-3-(1-naphthylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-methyl-3-(1-naphthalenylmethyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-methyl-3-(naphthalen-1-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-methyl-3-(1-naphthylmethyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H18N4O2S/c1-24-20(13-17-7-4-6-16-5-2-3-8-19(16)17)22-23-21(24)28-14-15-9-11-18(12-10-15)25(26)27/h2-12H,13-14H2,1H3