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

Systemtic Name: 2-[[4-methyl-5-(3-methyl-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)ethanamide Openeye Name: 2-[[4-methyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide CAS Name: 2-[[4-methyl-5-(3-methyl-2-benzofuranyl)-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)acetamide IUPAC Name: 2-[[4-methyl-5-(3-methyl-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide Traditional Name: 2-[[4-methyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2S/c1-14-17-11-7-8-12-18(17)28-20(14)21-24-25-22(26(21)3)29-13-19(27)23-15(2)16-9-5-4-6-10-16/h4-12,15H,13H2,1-3H3,(H,23,27)