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

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)propan-1-one Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)propan-1-one CAS Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dimethylphenyl)-1-propanone IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)propan-1-one Traditional Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dimethylphenyl)propan-1-one Formula: C19H23N3OS MolecularWeight: 341.47042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NN=C(N2C3CC3)C4CC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NN=C(N2C3CC3)C4CC4)C

InChI

InChI=1S/C19H23N3OS/c1-11-4-5-15(10-12(11)2)17(23)13(3)24-19-21-20-18(14-6-7-14)22(19)16-8-9-16/h4-5,10,13-14,16H,6-9H2,1-3H3