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

Systemtic Name: 2-[3-(4-tert-butylphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-allyl-3-(4-tert-butylphenyl)-5-thioxo-1,2,4-triazol-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[3-(4-tert-butylphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[3-(4-tert-butylphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-allyl-3-(4-tert-butylphenyl)-5-thioxo-1,2,4-triazol-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)C(C)(C)C)CC=C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)C(C)(C)C)CC=C)C

InChI

InChI=1S/C25H30N4OS/c1-7-15-28-23(19-11-13-20(14-12-19)25(4,5)6)27-29(24(28)31)16-22(30)26-21-10-8-9-17(2)18(21)3/h7-14H,1,15-16H2,2-6H3,(H,26,30)