4-[[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]morpholine

Systemtic Name: 4-[[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]morpholine Openeye Name: 4-[[4-allyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]morpholine CAS Name: 4-[[5-[(4-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]morpholine IUPAC Name: 4-[[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]morpholine Traditional Name: 4-[[4-allyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]methyl]morpholine Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CN3CCOCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CN3CCOCC3

InChI

InChI=1S/C17H21N5O3S/c1-2-7-21-16(12-20-8-10-25-11-9-20)18-19-17(21)26-13-14-3-5-15(6-4-14)22(23)24/h2-6H,1,7-13H2