2-[[5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[[5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[[5-(3-methylbenzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(o-tolyl)acetamide CAS Name: 2-[[5-(3-methyl-2-benzofuranyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[[5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[[5-(3-methylbenzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(o-tolyl)acetamide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=C(C5=CC=CC=C5O4)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=C(C5=CC=CC=C5O4)C

InChI

InChI=1S/C26H22N4O2S/c1-17-10-6-8-14-21(17)27-23(31)16-33-26-29-28-25(30(26)19-11-4-3-5-12-19)24-18(2)20-13-7-9-15-22(20)32-24/h3-15H,16H2,1-2H3,(H,27,31)