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

Systemtic Name: 4-[4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonylmorpholine Formula: C21H27N5O5S2 MolecularWeight: 493.59958

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C4CCCCC4

Isomeric SMILES

C=CCN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C4CCCCC4

InChI

InChI=1S/C21H27N5O5S2/c1-2-10-25-20(16-6-4-3-5-7-16)22-23-21(25)32-19-9-8-17(15-18(19)26(27)28)33(29,30)24-11-13-31-14-12-24/h2,8-9,15-16H,1,3-7,10-14H2