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

Systemtic Name: 3-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(p-tolyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-methylphenyl)-5-(2-oxanylmethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(p-tolyl)-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C18H23N3OS MolecularWeight: 329.45972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3CCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3CCCCO3

InChI

InChI=1S/C18H23N3OS/c1-3-11-21-17(15-9-7-14(2)8-10-15)19-20-18(21)23-13-16-6-4-5-12-22-16/h3,7-10,16H,1,4-6,11-13H2,2H3