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

Systemtic Name: 4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide Openeye Name: 4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide CAS Name: 4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]-N-(2,4,6-trimethylphenyl)butanamide IUPAC Name: 4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide Traditional Name: N-mesityl-4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]butyramide Formula: C19H22N4OS2 MolecularWeight: 386.53418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CCCSC2=NNC(=N2)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CCCSC2=NNC(=N2)C3=CC=CS3)C

InChI

InChI=1S/C19H22N4OS2/c1-12-10-13(2)17(14(3)11-12)20-16(24)7-5-9-26-19-21-18(22-23-19)15-6-4-8-25-15/h4,6,8,10-11H,5,7,9H2,1-3H3,(H,20,24)(H,21,22,23)