3-methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(4-isopentyloxyphenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine CAS Name: 3-methyl-5-[[4-(3-methylbutoxy)phenyl]methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-methyl-5-[[4-(3-methylbutoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(4-isoamoxybenzyl)thio]-5-methyl-1,2,4-triazol-4-yl]amine Formula: C15H22N4OS MolecularWeight: 306.42638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCC2=CC=C(C=C2)OCCC(C)C

Isomeric SMILES

CC1=NN=C(N1N)SCC2=CC=C(C=C2)OCCC(C)C

InChI

InChI=1S/C15H22N4OS/c1-11(2)8-9-20-14-6-4-13(5-7-14)10-21-15-18-17-12(3)19(15)16/h4-7,11H,8-10,16H2,1-3H3