3-[(4-pentoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-pentoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(4-pentoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(4-pentoxyphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-pentoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(4-amoxybenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C14H20N4OS MolecularWeight: 292.3998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)CSC2=NN=CN2N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)CSC2=NN=CN2N

InChI

InChI=1S/C14H20N4OS/c1-2-3-4-9-19-13-7-5-12(6-8-13)10-20-14-17-16-11-18(14)15/h5-8,11H,2-4,9-10,15H2,1H3