3-(3-methoxyphenyl)-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(3-methoxyphenyl)-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(3-methoxyphenyl)-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(3-methoxyphenyl)-5-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(3-methoxyphenyl)-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(3-methoxyphenyl)-5-[(4-methylbenzyl)thio]-1,2,4-triazole Formula: C20H21N3OS MolecularWeight: 351.46524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H21N3OS/c1-4-12-23-19(17-6-5-7-18(13-17)24-3)21-22-20(23)25-14-16-10-8-15(2)9-11-16/h4-11,13H,1,12,14H2,2-3H3