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

Systemtic Name: N-(4-acetamidophenyl)-2-[[5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-acetamidophenyl)-2-[[5-(3-methylbenzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-acetamidophenyl)-2-[[5-(3-methyl-2-benzofuranyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-acetamidophenyl)-2-[[5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-acetamidophenyl)-2-[[5-(3-methylbenzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C28H25N5O3S MolecularWeight: 511.5948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3C4=CC=CC=C4)SC(C)C(=O)NC5=CC=C(C=C5)NC(=O)C

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3C4=CC=CC=C4)SC(C)C(=O)NC5=CC=C(C=C5)NC(=O)C

InChI

InChI=1S/C28H25N5O3S/c1-17-23-11-7-8-12-24(23)36-25(17)26-31-32-28(33(26)22-9-5-4-6-10-22)37-18(2)27(35)30-21-15-13-20(14-16-21)29-19(3)34/h4-16,18H,1-3H3,(H,29,34)(H,30,35)