3-[4-(3-methylbutyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propan-1-amine

Systemtic Name: 3-[4-(3-methylbutyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propan-1-amine Openeye Name: 3-(4-isopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine CAS Name: 3-[4-(3-methylbutyl)-5-(methylthio)-1,2,4-triazol-3-yl]-1-propanamine IUPAC Name: 3-[4-(3-methylbutyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propan-1-amine Traditional Name: 3-[4-isoamyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamine Formula: C11H22N4S MolecularWeight: 242.38418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=C1SC)CCCN

Isomeric SMILES

CC(C)CCN1C(=NN=C1SC)CCCN

InChI

InChI=1S/C11H22N4S/c1-9(2)6-8-15-10(5-4-7-12)13-14-11(15)16-3/h9H,4-8,12H2,1-3H3