2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propan-2-ylphenyl)ethanone

Systemtic Name: 2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propan-2-ylphenyl)ethanone Openeye Name: 2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-isopropylphenyl)ethanone CAS Name: 2-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-propan-2-ylphenyl)ethanone IUPAC Name: 2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propan-2-ylphenyl)ethanone Traditional Name: 2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-p-cumenyl-ethanone Formula: C23H21N3O2S MolecularWeight: 403.49674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C23H21N3O2S/c1-16(2)17-10-12-18(13-11-17)20(27)15-29-23-25-24-22(21-9-6-14-28-21)26(23)19-7-4-3-5-8-19/h3-14,16H,15H2,1-2H3