3-(4-nitrophenyl)-5-[[(2S)-oxan-2-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(4-nitrophenyl)-5-[[(2S)-oxan-2-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-nitrophenyl)-5-[[(2S)-tetrahydropyran-2-yl]methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-nitrophenyl)-5-[[(2S)-2-oxanyl]methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-nitrophenyl)-5-[[(2S)-oxan-2-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-nitrophenyl)-5-[[(2S)-tetrahydropyran-2-yl]methylthio]-1,2,4-triazole Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2CCCCO2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=NN=C1SC[C@@H]2CCCCO2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O3S/c1-2-10-20-16(13-6-8-14(9-7-13)21(22)23)18-19-17(20)25-12-15-5-3-4-11-24-15/h2,6-9,15H,1,3-5,10-12H2/t15-/m0/s1