5-[(4-pentoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-[(4-pentoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[(4-pentoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[(4-pentoxyphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[(4-pentoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-[(4-amoxybenzyl)thio]-1H-1,2,4-triazole Formula: C14H19N3OS MolecularWeight: 277.38516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)CSC2=NC=NN2

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)CSC2=NC=NN2

InChI

InChI=1S/C14H19N3OS/c1-2-3-4-9-18-13-7-5-12(6-8-13)10-19-14-15-11-16-17-14/h5-8,11H,2-4,9-10H2,1H3,(H,15,16,17)