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

Systemtic Name: 2-[[5-(3-methyl-1-benzofuran-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-yl-ethanamide Openeye Name: 2-[[4-isobutyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-naphthyl)acetamide CAS Name: 2-[[5-(3-methyl-2-benzofuranyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]-N-(2-naphthalenyl)acetamide IUPAC Name: 2-[[5-(3-methyl-1-benzofuran-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylacetamide Traditional Name: 2-[[4-isobutyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-(2-naphthyl)acetamide Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3CC(C)C)SCC(=O)NC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3CC(C)C)SCC(=O)NC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H26N4O2S/c1-17(2)15-31-26(25-18(3)22-10-6-7-11-23(22)33-25)29-30-27(31)34-16-24(32)28-21-13-12-19-8-4-5-9-20(19)14-21/h4-14,17H,15-16H2,1-3H3,(H,28,32)