5-cyclopentyl-3-(2,4-dinitrophenyl)sulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-cyclopentyl-3-(2,4-dinitrophenyl)sulfanyl-1H-1,2,4-triazole Openeye Name: 5-cyclopentyl-3-(2,4-dinitrophenyl)sulfanyl-1H-1,2,4-triazole CAS Name: 5-cyclopentyl-3-[(2,4-dinitrophenyl)thio]-1H-1,2,4-triazole IUPAC Name: 5-cyclopentyl-3-(2,4-dinitrophenyl)sulfanyl-1H-1,2,4-triazole Traditional Name: 5-cyclopentyl-3-[(2,4-dinitrophenyl)thio]-1H-1,2,4-triazole Formula: C13H13N5O4S MolecularWeight: 335.33842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC(=NN2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)C2=NC(=NN2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O4S/c19-17(20)9-5-6-11(10(7-9)18(21)22)23-13-14-12(15-16-13)8-3-1-2-4-8/h5-8H,1-4H2,(H,14,15,16)