N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C23H30N4OS2 MolecularWeight: 442.6405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CCNC(=O)CCN2C(=NNC2=S)C3=CC=CS3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CCNC(=O)CCN2C(=NNC2=S)C3=CC=CS3)C)C(C)(C)C

InChI

InChI=1S/C23H30N4OS2/c1-15-13-17(23(3,4)5)14-16(2)18(15)8-10-24-20(28)9-11-27-21(25-26-22(27)29)19-7-6-12-30-19/h6-7,12-14H,8-11H2,1-5H3,(H,24,28)(H,26,29)