1-[4-[(4-methylphenyl)methyl]-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]propan-1-amine

Systemtic Name: 1-[4-[(4-methylphenyl)methyl]-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]propan-1-amine Openeye Name: 1-[5-allylsulfanyl-4-(p-tolylmethyl)-1,2,4-triazol-3-yl]propan-1-amine CAS Name: 1-[4-[(4-methylphenyl)methyl]-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]-1-propanamine IUPAC Name: 1-[4-[(4-methylphenyl)methyl]-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]propan-1-amine Traditional Name: 1-[5-(allylthio)-4-(4-methylbenzyl)-1,2,4-triazol-3-yl]propylamine Formula: C16H22N4S MolecularWeight: 302.43768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=C(N1CC2=CC=C(C=C2)C)SCC=C)N

Isomeric SMILES

CCC(C1=NN=C(N1CC2=CC=C(C=C2)C)SCC=C)N

InChI

InChI=1S/C16H22N4S/c1-4-10-21-16-19-18-15(14(17)5-2)20(16)11-13-8-6-12(3)7-9-13/h4,6-9,14H,1,5,10-11,17H2,2-3H3