3-butyl-5-(naphthalen-2-ylmethylsulfanyl)-4-[(4-nitrophenyl)methyl]-1,2,4-triazole

Systemtic Name: 3-butyl-5-(naphthalen-2-ylmethylsulfanyl)-4-[(4-nitrophenyl)methyl]-1,2,4-triazole Openeye Name: 3-butyl-5-(2-naphthylmethylsulfanyl)-4-[(4-nitrophenyl)methyl]-1,2,4-triazole CAS Name: 3-butyl-5-(2-naphthalenylmethylthio)-4-[(4-nitrophenyl)methyl]-1,2,4-triazole IUPAC Name: 3-butyl-5-(naphthalen-2-ylmethylsulfanyl)-4-[(4-nitrophenyl)methyl]-1,2,4-triazole Traditional Name: 3-butyl-5-(2-naphthylmethylthio)-4-(4-nitrobenzyl)-1,2,4-triazole Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H24N4O2S/c1-2-3-8-23-25-26-24(27(23)16-18-10-13-22(14-11-18)28(29)30)31-17-19-9-12-20-6-4-5-7-21(20)15-19/h4-7,9-15H,2-3,8,16-17H2,1H3