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

Systemtic Name: N-(4-acetamidophenyl)-2-[[4-methyl-5-(3-methyl-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[[4-methyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[[4-methyl-5-(3-methyl-2-benzofuranyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[[4-methyl-5-(3-methyl-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[[4-methyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3C)SCC(=O)NC4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3C)SCC(=O)NC4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C22H21N5O3S/c1-13-17-6-4-5-7-18(17)30-20(13)21-25-26-22(27(21)3)31-12-19(29)24-16-10-8-15(9-11-16)23-14(2)28/h4-11H,12H2,1-3H3,(H,23,28)(H,24,29)