2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone

Systemtic Name: 2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone CAS Name: 2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(2,4,5-trimethylphenyl)ethanone IUPAC Name: 2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(2,4,5-trimethylphenyl)ethanone Formula: C21H22N4OS MolecularWeight: 378.49058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)C)C

InChI

InChI=1S/C21H22N4OS/c1-5-10-25-20(17-6-8-22-9-7-17)23-24-21(25)27-13-19(26)18-12-15(3)14(2)11-16(18)4/h5-9,11-12H,1,10,13H2,2-4H3