2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone

Systemtic Name: 2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone Openeye Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone CAS Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-1-(2,4,5-trimethylphenyl)ethanone IUPAC Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone Traditional Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-1-(2,4,5-trimethylphenyl)ethanone Formula: C14H18N4OS MolecularWeight: 290.38392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CSC2=NN=C(N2N)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CSC2=NN=C(N2N)C)C)C

InChI

InChI=1S/C14H18N4OS/c1-8-5-10(3)12(6-9(8)2)13(19)7-20-14-17-16-11(4)18(14)15/h5-6H,7,15H2,1-4H3