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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC=CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SC/C=C/C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H19N3S/c1-22-18(15-17-11-6-3-7-12-17)20-21-19(22)23-14-8-13-16-9-4-2-5-10-16/h2-13H,14-15H2,1H3/b13-8+