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

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide Openeye Name: 2-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide CAS Name: 2-[[5-(2-benzofuranyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenylbutanamide IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylbutanamide Traditional Name: 2-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenyl-butyramide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H20N4O2S/c1-3-18(20(26)22-15-10-5-4-6-11-15)28-21-24-23-19(25(21)2)17-13-14-9-7-8-12-16(14)27-17/h4-13,18H,3H2,1-2H3,(H,22,26)