4-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonylmorpholine Formula: C17H21N5O5S2 MolecularWeight: 439.50914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC(=NN2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)C2=NC(=NN2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O5S2/c23-22(24)14-11-13(29(25,26)21-7-9-27-10-8-21)5-6-15(14)28-17-18-16(19-20-17)12-3-1-2-4-12/h5-6,11-12H,1-4,7-10H2,(H,18,19,20)