5-ethyl-3-[(4-pentoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-ethyl-3-[(4-pentoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-ethyl-3-[(4-pentoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-ethyl-3-[(4-pentoxyphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-ethyl-3-[(4-pentoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 3-[(4-amoxybenzyl)thio]-5-ethyl-1H-1,2,4-triazole Formula: C16H23N3OS MolecularWeight: 305.43832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)CSC2=NNC(=N2)CC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)CSC2=NNC(=N2)CC

InChI

InChI=1S/C16H23N3OS/c1-3-5-6-11-20-14-9-7-13(8-10-14)12-21-16-17-15(4-2)18-19-16/h7-10H,3-6,11-12H2,1-2H3,(H,17,18,19)