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

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

Systemtic Name:4-[4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylmorpholine
Openeye Name:4-[4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylmorpholine
CAS Name:4-[4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]sulfonylmorpholine
IUPAC Name:4-[4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]sulfonylmorpholine
Traditional Name:4-[4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonylmorpholine
Formula: C21H21N5O5S2
MolecularWeight: 487.55194
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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SC4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-]


Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SC4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-]


InChI

InChI=1S/C21H21N5O5S2/c27-26(28)18-14-17(33(29,30)24-10-12-31-13-11-24)8-9-19(18)32-21-23-22-20(15-6-7-15)25(21)16-4-2-1-3-5-16/h1-5,8-9,14-15H,6-7,10-13H2


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