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

Systemtic Name: 2-[[5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)butanamide Openeye Name: 2-[[5-(3-methylbenzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)butanamide CAS Name: 2-[[5-(3-methyl-2-benzofuranyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)butanamide IUPAC Name: 2-[[5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)butanamide Traditional Name: 2-[[5-(3-methylbenzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)butyramide Formula: C27H23N5O4S MolecularWeight: 513.56762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2C3=CC=CC=C3)C4=C(C5=CC=CC=C5O4)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2C3=CC=CC=C3)C4=C(C5=CC=CC=C5O4)C

InChI

InChI=1S/C27H23N5O4S/c1-3-23(26(33)28-18-13-15-20(16-14-18)32(34)35)37-27-30-29-25(31(27)19-9-5-4-6-10-19)24-17(2)21-11-7-8-12-22(21)36-24/h4-16,23H,3H2,1-2H3,(H,28,33)