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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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