3-(2-chlorophenyl)-4-cyclopentyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-[(3-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(2-chlorophenyl)-4-cyclopentyl-5-[(3-nitrobenzyl)thio]-1,2,4-triazole Formula: C20H19ClN4O2S MolecularWeight: 414.90846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4Cl

Isomeric SMILES

C1CCC(C1)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4Cl

InChI

InChI=1S/C20H19ClN4O2S/c21-18-11-4-3-10-17(18)19-22-23-20(24(19)15-7-1-2-8-15)28-13-14-6-5-9-16(12-14)25(26)27/h3-6,9-12,15H,1-2,7-8,13H2