3-[(4-tert-butylphenoxy)methyl]-5-(2-chloranylprop-2-enylsulfanyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-tert-butylphenoxy)methyl]-5-(2-chloranylprop-2-enylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-tert-butylphenoxy)methyl]-5-(2-chloroallylsulfanyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-tert-butylphenoxy)methyl]-5-(2-chloroprop-2-enylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-tert-butylphenoxy)methyl]-5-(2-chloroprop-2-enylsulfanyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-tert-butylphenoxy)methyl]-5-(2-chloroallylthio)-1,2,4-triazol-4-yl]amine Formula: C16H21ClN4OS MolecularWeight: 352.88214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC(=C)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC(=C)Cl

InChI

InChI=1S/C16H21ClN4OS/c1-11(17)10-23-15-20-19-14(21(15)18)9-22-13-7-5-12(6-8-13)16(2,3)4/h5-8H,1,9-10,18H2,2-4H3