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

Systemtic Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)ethanone Openeye Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)ethanone CAS Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-(3,4-dimethylphenyl)ethanone IUPAC Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)ethanone Traditional Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-(3,4-dimethylphenyl)ethanone Formula: C15H17N3OS MolecularWeight: 287.37998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NNC(=N2)C3CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NNC(=N2)C3CC3)C

InChI

InChI=1S/C15H17N3OS/c1-9-3-4-12(7-10(9)2)13(19)8-20-15-16-14(17-18-15)11-5-6-11/h3-4,7,11H,5-6,8H2,1-2H3,(H,16,17,18)