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

Systemtic Name: 2-[[4-ethyl-5-(3-methyl-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-butanamide Openeye Name: 2-[[4-ethyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)butanamide CAS Name: 2-[[4-ethyl-5-(3-methyl-2-benzofuranyl)-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)butanamide IUPAC Name: 2-[[4-ethyl-5-(3-methyl-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylbutanamide Traditional Name: 2-[[4-ethyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-(1-naphthyl)butyramide Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3CC)C4=C(C5=CC=CC=C5O4)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3CC)C4=C(C5=CC=CC=C5O4)C

InChI

InChI=1S/C27H26N4O2S/c1-4-23(26(32)28-21-15-10-12-18-11-6-7-14-20(18)21)34-27-30-29-25(31(27)5-2)24-17(3)19-13-8-9-16-22(19)33-24/h6-16,23H,4-5H2,1-3H3,(H,28,32)