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

Systemtic Name: 1-(2,5-dimethylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(2,5-dimethylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(2,5-dimethylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(2,5-dimethylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(2,5-dimethylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=NN=C(N2C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=NN=C(N2C)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3OS/c1-13-10-11-14(2)17(12-13)18(24)15(3)25-20-22-21-19(23(20)4)16-8-6-5-7-9-16/h5-12,15H,1-4H3