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

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(furan-2-yl)ethanone Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-furyl)ethanone CAS Name: 2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(2-furanyl)ethanone IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(furan-2-yl)ethanone Traditional Name: 1-(2-furyl)-2-[(5-phenyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O3S/c1-2-27-18-12-10-17(11-13-18)25-21(16-7-4-3-5-8-16)23-24-22(25)29-15-19(26)20-9-6-14-28-20/h3-14H,2,15H2,1H3