2-[3-(4-tert-butylphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(4-chlorophenyl)ethanamide

Systemtic Name: 2-[3-(4-tert-butylphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(4-chlorophenyl)ethanamide Openeye Name: 2-[4-allyl-3-(4-tert-butylphenyl)-5-thioxo-1,2,4-triazol-1-yl]-N-(4-chlorophenyl)acetamide CAS Name: 2-[3-(4-tert-butylphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(4-chlorophenyl)acetamide IUPAC Name: 2-[3-(4-tert-butylphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(4-chlorophenyl)acetamide Traditional Name: 2-[4-allyl-3-(4-tert-butylphenyl)-5-thioxo-1,2,4-triazol-1-yl]-N-(4-chlorophenyl)acetamide Formula: C23H25ClN4OS MolecularWeight: 440.9888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2CC=C)CC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2CC=C)CC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H25ClN4OS/c1-5-14-27-21(16-6-8-17(9-7-16)23(2,3)4)26-28(22(27)30)15-20(29)25-19-12-10-18(24)11-13-19/h5-13H,1,14-15H2,2-4H3,(H,25,29)