4-[5-[2-(3-nitrophenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine

Systemtic Name: 4-[5-[2-(3-nitrophenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine Openeye Name: 4-[5-[2-(3-nitrophenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine CAS Name: 4-[5-[2-(3-nitrophenoxy)ethylthio]-4-phenyl-1,2,4-triazol-3-yl]morpholine IUPAC Name: 4-[5-[2-(3-nitrophenoxy)ethylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]morpholine Traditional Name: 4-[5-[2-(3-nitrophenoxy)ethylthio]-4-phenyl-1,2,4-triazol-3-yl]morpholine Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCCOC4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCCOC4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4S/c26-25(27)17-7-4-8-18(15-17)29-13-14-30-20-22-21-19(23-9-11-28-12-10-23)24(20)16-5-2-1-3-6-16/h1-8,15H,9-14H2