3-[4-ethyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propan-1-ol

Systemtic Name: 3-[4-ethyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propan-1-ol Openeye Name: 3-[4-ethyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propan-1-ol CAS Name: 3-[4-ethyl-5-[(3-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]-1-propanol IUPAC Name: 3-[4-ethyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propan-1-ol Traditional Name: 3-[4-ethyl-5-[(3-nitrobenzyl)thio]-1,2,4-triazol-3-yl]propan-1-ol Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O3S/c1-2-17-13(7-4-8-19)15-16-14(17)22-10-11-5-3-6-12(9-11)18(20)21/h3,5-6,9,19H,2,4,7-8,10H2,1H3