4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide

Systemtic Name: 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide Openeye Name: 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide CAS Name: 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-(2,4,6-trimethylphenyl)butanamide IUPAC Name: 4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide Traditional Name: N-mesityl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]butyramide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CCCSC2=NNC(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CCCSC2=NNC(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H24N4OS/c1-14-12-15(2)19(16(3)13-14)22-18(26)10-7-11-27-21-23-20(24-25-21)17-8-5-4-6-9-17/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,22,26)(H,23,24,25)