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

Systemtic Name: 4-methyl-3-[(4-nitrophenoxy)methyl]-5-phenethylsulfanyl-1,2,4-triazole Openeye Name: 4-methyl-3-[(4-nitrophenoxy)methyl]-5-phenethylsulfanyl-1,2,4-triazole CAS Name: 4-methyl-3-[(4-nitrophenoxy)methyl]-5-(phenethylthio)-1,2,4-triazole IUPAC Name: 4-methyl-3-[(4-nitrophenoxy)methyl]-5-phenethylsulfanyl-1,2,4-triazole Traditional Name: 4-methyl-3-[(4-nitrophenoxy)methyl]-5-(phenethylthio)-1,2,4-triazole Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC2=CC=CC=C2)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCCC2=CC=CC=C2)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3S/c1-21-17(13-25-16-9-7-15(8-10-16)22(23)24)19-20-18(21)26-12-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3