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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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