N-(3-ethanoylphenyl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanamide Openeye Name: N-(3-acetylphenyl)-2-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetamide CAS Name: N-(3-acetylphenyl)-2-[[5-(2-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-2-phenylacetamide IUPAC Name: N-(3-acetylphenyl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide Traditional Name: N-(3-acetylphenyl)-2-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-acetamide Formula: C25H22N4O3S MolecularWeight: 458.53218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CC=C)C4=CC=CO4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CC=C)C4=CC=CO4

InChI

InChI=1S/C25H22N4O3S/c1-3-14-29-23(21-13-8-15-32-21)27-28-25(29)33-22(18-9-5-4-6-10-18)24(31)26-20-12-7-11-19(16-20)17(2)30/h3-13,15-16,22H,1,14H2,2H3,(H,26,31)