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

Systemtic Name: 3-butylsulfanyl-4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole Openeye Name: 3-butylsulfanyl-4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole CAS Name: 3-(butylthio)-4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole IUPAC Name: 3-butylsulfanyl-4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole Traditional Name: 3-(butylthio)-4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazole Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=NN=C(N1C)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O3S/c1-3-4-9-22-14-16-15-13(17(14)2)10-21-12-7-5-11(6-8-12)18(19)20/h5-8H,3-4,9-10H2,1-2H3