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

Systemtic Name: 2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-isopropyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-isopropyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1CCOC)SCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)C1=NN=C(N1CCOC)SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H21N3O2S/c1-12(2)15-17-18-16(19(15)9-10-21-3)22-11-14(20)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3