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

Systemtic Name: 2-[[5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-butanamide Openeye Name: 2-[[5-(3-methylbenzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)butanamide CAS Name: 2-[[5-(3-methyl-2-benzofuranyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)butanamide IUPAC Name: 2-[[5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylbutanamide Traditional Name: 2-[[5-(3-methylbenzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(1-naphthyl)butyramide Formula: C31H26N4O2S MolecularWeight: 518.62874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3C4=CC=CC=C4)C5=C(C6=CC=CC=C6O5)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3C4=CC=CC=C4)C5=C(C6=CC=CC=C6O5)C

InChI

InChI=1S/C31H26N4O2S/c1-3-27(30(36)32-25-18-11-13-21-12-7-8-17-24(21)25)38-31-34-33-29(35(31)22-14-5-4-6-15-22)28-20(2)23-16-9-10-19-26(23)37-28/h4-19,27H,3H2,1-2H3,(H,32,36)