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

Systemtic Name: 2-[[4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

COC(CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC=CC=C3)OC

Isomeric SMILES

COC(CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H21N3O3S/c1-25-18(26-2)13-23-19(16-11-7-4-8-12-16)21-22-20(23)27-14-17(24)15-9-5-3-6-10-15/h3-12,18H,13-14H2,1-2H3