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

Systemtic Name: 4-ethyl-3-[(3-nitrophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazole Openeye Name: 4-ethyl-3-isopropyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-ethyl-3-[(3-nitrophenyl)methylthio]-5-propan-2-yl-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(3-nitrophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazole Traditional Name: 4-ethyl-3-isopropyl-5-[(3-nitrobenzyl)thio]-1,2,4-triazole Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O2S/c1-4-17-13(10(2)3)15-16-14(17)21-9-11-6-5-7-12(8-11)18(19)20/h5-8,10H,4,9H2,1-3H3