4-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine

Systemtic Name: 4-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine Openeye Name: 4-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine CAS Name: 4-[5-[(2-methoxy-5-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]morpholine IUPAC Name: 4-[5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine Traditional Name: 4-[5-[(2-methoxy-5-nitro-benzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]morpholine Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C20H21N5O4S/c1-28-18-8-7-17(25(26)27)13-15(18)14-30-20-22-21-19(23-9-11-29-12-10-23)24(20)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3