2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone

Systemtic Name: 2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone Openeye Name: 2-[[5-isopropyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(p-tolyl)ethanone CAS Name: 2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone Traditional Name: 2-[[5-isopropyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]-1-(p-tolyl)ethanone Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CCOC)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CCOC)C(C)C

InChI

InChI=1S/C17H23N3O2S/c1-12(2)16-18-19-17(20(16)9-10-22-4)23-11-15(21)14-7-5-13(3)6-8-14/h5-8,12H,9-11H2,1-4H3