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

Systemtic Name: 2-[[5-(2,2-diethoxyethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(2,2-diethoxyethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(2,2-diethoxyethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(2,2-diethoxyethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(2,2-diethoxyethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=NN=C(N1C)SCC(=O)C2=CC=CC=C2)OCC

Isomeric SMILES

CCOC(CC1=NN=C(N1C)SCC(=O)C2=CC=CC=C2)OCC

InChI

InChI=1S/C17H23N3O3S/c1-4-22-16(23-5-2)11-15-18-19-17(20(15)3)24-12-14(21)13-9-7-6-8-10-13/h6-10,16H,4-5,11-12H2,1-3H3