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

Systemtic Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethylphenyl)propan-1-one Openeye Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethylphenyl)propan-1-one CAS Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethylphenyl)-1-propanone IUPAC Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethylphenyl)propan-1-one Traditional Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethylphenyl)propan-1-one Formula: C16H19N3OS MolecularWeight: 301.40656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=NNC(=N2)C3CC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=NNC(=N2)C3CC3

InChI

InChI=1S/C16H19N3OS/c1-9-4-5-10(2)13(8-9)14(20)11(3)21-16-17-15(18-19-16)12-6-7-12/h4-5,8,11-12H,6-7H2,1-3H3,(H,17,18,19)