4-methyl-3-[(4-nitrophenoxy)methyl]-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-[(4-nitrophenoxy)methyl]-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole CAS Name: 4-methyl-3-[(4-nitrophenoxy)methyl]-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3S/c1-20-16(11-24-15-9-7-14(8-10-15)21(22)23)18-19-17(20)25-12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3