3-methyl-5-(oxan-2-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-methyl-5-(oxan-2-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-methyl-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-methyl-5-(2-oxanylmethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-methyl-5-(oxan-2-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-methyl-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C12H19N3OS MolecularWeight: 253.36376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC2CCCCO2

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC2CCCCO2

InChI

InChI=1S/C12H19N3OS/c1-3-7-15-10(2)13-14-12(15)17-9-11-6-4-5-8-16-11/h3,11H,1,4-9H2,2H3