1-(2,4-dimethylphenyl)-2-[(5,6-dithiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,4-dimethylphenyl)-2-[(5,6-dithiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone Openeye Name: 2-[[5,6-bis(2-thienyl)-1,2,4-triazin-3-yl]sulfanyl]-1-(2,4-dimethylphenyl)ethanone CAS Name: 1-(2,4-dimethylphenyl)-2-[(5,6-dithiophen-2-yl-1,2,4-triazin-3-yl)thio]ethanone IUPAC Name: 1-(2,4-dimethylphenyl)-2-[(5,6-dithiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone Traditional Name: 2-[[5,6-bis(2-thienyl)-1,2,4-triazin-3-yl]thio]-1-(2,4-dimethylphenyl)ethanone Formula: C21H17N3OS3 MolecularWeight: 423.57418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CSC2=NC(=C(N=N2)C3=CC=CS3)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CSC2=NC(=C(N=N2)C3=CC=CS3)C4=CC=CS4)C

InChI

InChI=1S/C21H17N3OS3/c1-13-7-8-15(14(2)11-13)16(25)12-28-21-22-19(17-5-3-9-26-17)20(23-24-21)18-6-4-10-27-18/h3-11H,12H2,1-2H3