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

Systemtic Name: 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propan-2-ylphenyl)ethanone Openeye Name: 2-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-isopropylphenyl)ethanone CAS Name: 2-[[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-propan-2-ylphenyl)ethanone IUPAC Name: 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propan-2-ylphenyl)ethanone Traditional Name: 2-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]thio]-1-p-cumenyl-ethanone Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CO3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CO3

InChI

InChI=1S/C17H17N3O2S/c1-11(2)12-5-7-13(8-6-12)14(21)10-23-17-18-16(19-20-17)15-4-3-9-22-15/h3-9,11H,10H2,1-2H3,(H,18,19,20)