2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone

Systemtic Name: 2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone Openeye Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone CAS Name: 2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(2,4,6-trimethylphenyl)ethanone IUPAC Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone Traditional Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-mesityl-ethanone Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NN=C(N2C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NN=C(N2C)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H23N3OS/c1-14-10-15(2)20(16(3)11-14)18(25)13-26-21-23-22-19(24(21)4)12-17-8-6-5-7-9-17/h5-11H,12-13H2,1-4H3