2-[3-(benzotriazol-1-ylmethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[3-(benzotriazol-1-ylmethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[3-(benzotriazol-1-ylmethyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[3-(1-benzotriazolylmethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[3-(benzotriazol-1-ylmethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[3-(benzotriazol-1-ylmethyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C25H23N7OS MolecularWeight: 469.56142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2C(=S)N(C(=N2)CN3C4=CC=CC=C4N=N3)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2C(=S)N(C(=N2)CN3C4=CC=CC=C4N=N3)C5=CC=CC=C5

InChI

InChI=1S/C25H23N7OS/c1-17-9-8-10-18(2)24(17)26-23(33)16-31-25(34)32(19-11-4-3-5-12-19)22(28-31)15-30-21-14-7-6-13-20(21)27-29-30/h3-14H,15-16H2,1-2H3,(H,26,33)