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

Systemtic Name: 3-[(4-butoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(4-butoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(4-butoxyphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-butoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(4-butoxybenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C13H18N4OS MolecularWeight: 278.37322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CSC2=NN=CN2N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CSC2=NN=CN2N

InChI

InChI=1S/C13H18N4OS/c1-2-3-8-18-12-6-4-11(5-7-12)9-19-13-16-15-10-17(13)14/h4-7,10H,2-3,8-9,14H2,1H3