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

Systemtic Name: 4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-5-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-5-nitro-phenyl]sulfonylmorpholine Formula: C18H21N5O5S2 MolecularWeight: 451.51984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C18H21N5O5S2/c24-23(25)14-5-6-15(16(11-14)30(26,27)21-7-9-28-10-8-21)29-18-20-19-17(12-1-2-12)22(18)13-3-4-13/h5-6,11-13H,1-4,7-10H2