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

Systemtic Name: 1-(4-ethylphenyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-ethylphenyl)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-ethylphenyl)-2-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-ethylphenyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(4-ethylphenyl)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C23H21N3O2S/c1-3-17-11-13-18(14-12-17)21(27)16(2)29-23-25-24-22(20-10-7-15-28-20)26(23)19-8-5-4-6-9-19/h4-16H,3H2,1-2H3