4-(2-methylpropyl)-3-prop-2-enylsulfanyl-5-pyrrolidin-2-yl-1,2,4-triazole

Systemtic Name: 4-(2-methylpropyl)-3-prop-2-enylsulfanyl-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-allylsulfanyl-4-isobutyl-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 4-(2-methylpropyl)-3-(prop-2-enylthio)-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-(2-methylpropyl)-3-prop-2-enylsulfanyl-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 3-(allylthio)-4-isobutyl-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C13H22N4S MolecularWeight: 266.40558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC=C)C2CCCN2

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC=C)C2CCCN2

InChI

InChI=1S/C13H22N4S/c1-4-8-18-13-16-15-12(11-6-5-7-14-11)17(13)9-10(2)3/h4,10-11,14H,1,5-9H2,2-3H3