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

Systemtic Name: 2-[(4-phenyl-5-phenylazanyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone Openeye Name: 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone CAS Name: 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(2,4,6-trimethylphenyl)ethanone IUPAC Name: 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone Traditional Name: 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)thio]-1-mesityl-ethanone Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)NC4=CC=CC=C4)C

InChI

InChI=1S/C25H24N4OS/c1-17-14-18(2)23(19(3)15-17)22(30)16-31-25-28-27-24(26-20-10-6-4-7-11-20)29(25)21-12-8-5-9-13-21/h4-15H,16H2,1-3H3,(H,26,27)