4-ethyl-3-(naphthalen-1-ylmethylsulfanyl)-5-(4-nitrophenyl)-1,2,4-triazole

Systemtic Name: 4-ethyl-3-(naphthalen-1-ylmethylsulfanyl)-5-(4-nitrophenyl)-1,2,4-triazole Openeye Name: 4-ethyl-3-(1-naphthylmethylsulfanyl)-5-(4-nitrophenyl)-1,2,4-triazole CAS Name: 4-ethyl-3-(1-naphthalenylmethylthio)-5-(4-nitrophenyl)-1,2,4-triazole IUPAC Name: 4-ethyl-3-(naphthalen-1-ylmethylsulfanyl)-5-(4-nitrophenyl)-1,2,4-triazole Traditional Name: 4-ethyl-3-(1-naphthylmethylthio)-5-(4-nitrophenyl)-1,2,4-triazole Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O2S/c1-2-24-20(16-10-12-18(13-11-16)25(26)27)22-23-21(24)28-14-17-8-5-7-15-6-3-4-9-19(15)17/h3-13H,2,14H2,1H3