4-methyl-3-(4-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole

Systemtic Name: 4-methyl-3-(4-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole Openeye Name: 3-[(E)-cinnamyl]sulfanyl-4-methyl-5-(p-tolyl)-1,2,4-triazole CAS Name: 4-methyl-3-(4-methylphenyl)-5-[[(E)-3-phenylprop-2-enyl]thio]-1,2,4-triazole IUPAC Name: 4-methyl-3-(4-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole Traditional Name: 3-[[(E)-cinnamyl]thio]-4-methyl-5-(p-tolyl)-1,2,4-triazole Formula: C19H19N3S MolecularWeight: 321.43926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C19H19N3S/c1-15-10-12-17(13-11-15)18-20-21-19(22(18)2)23-14-6-9-16-7-4-3-5-8-16/h3-13H,14H2,1-2H3/b9-6+