2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dimethylphenyl)ethanone

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dimethylphenyl)ethanone Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dimethylphenyl)ethanone CAS Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-(2,4-dimethylphenyl)ethanone IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dimethylphenyl)ethanone Traditional Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-(2,4-dimethylphenyl)ethanone Formula: C18H21N3OS MolecularWeight: 327.44384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4CC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4CC4)C

InChI

InChI=1S/C18H21N3OS/c1-11-3-8-15(12(2)9-11)16(22)10-23-18-20-19-17(13-4-5-13)21(18)14-6-7-14/h3,8-9,13-14H,4-7,10H2,1-2H3