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

Systemtic Name: 4-cyclohexyl-3-(naphthalen-1-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(1-naphthylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(1-naphthalenylmethyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(naphthalen-1-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(1-naphthylmethyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H26N4O2S/c31-30(32)23-15-13-19(14-16-23)18-33-26-28-27-25(29(26)22-10-2-1-3-11-22)17-21-9-6-8-20-7-4-5-12-24(20)21/h4-9,12-16,22H,1-3,10-11,17-18H2