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

Systemtic Name: 4-cyclohexyl-3-(naphthalen-1-ylmethylsulfanyl)-5-(3-nitrophenyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(1-naphthylmethylsulfanyl)-5-(3-nitrophenyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(1-naphthalenylmethylthio)-5-(3-nitrophenyl)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(naphthalen-1-ylmethylsulfanyl)-5-(3-nitrophenyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(1-naphthylmethylthio)-5-(3-nitrophenyl)-1,2,4-triazole Formula: C25H24N4O2S MolecularWeight: 444.54866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC4=CC=CC=C43)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC4=CC=CC=C43)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O2S/c30-29(31)22-14-7-10-19(16-22)24-26-27-25(28(24)21-12-2-1-3-13-21)32-17-20-11-6-9-18-8-4-5-15-23(18)20/h4-11,14-16,21H,1-3,12-13,17H2