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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)N5CCOCC5

InChI

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