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

Systemtic Name: 3-(4-methoxyphenyl)-5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-methoxyphenyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-methoxyphenyl)-5-[(3-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-methoxyphenyl)-5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-methoxyphenyl)-5-[(3-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(=CC=C1)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

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