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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4C5=CC=CC=C5N=N4

InChI

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