3-(methoxymethyl)-4-prop-2-enyl-5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(methoxymethyl)-4-prop-2-enyl-5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-allyl-3-(methoxymethyl)-5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(methoxymethyl)-4-prop-2-enyl-5-[(2,4,6-trimethylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(methoxymethyl)-4-prop-2-enyl-5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-allyl-3-(methoxymethyl)-5-[(2,4,6-trimethylbenzyl)thio]-1,2,4-triazole Formula: C17H23N3OS MolecularWeight: 317.44902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CSC2=NN=C(N2CC=C)COC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CSC2=NN=C(N2CC=C)COC)C

InChI

InChI=1S/C17H23N3OS/c1-6-7-20-16(10-21-5)18-19-17(20)22-11-15-13(3)8-12(2)9-14(15)4/h6,8-9H,1,7,10-11H2,2-5H3