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

Systemtic Name: 2-[[5-(1-hydroxyethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(1-hydroxyethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(1-hydroxyethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(1-hydroxyethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(1-hydroxyethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C)SCC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC(C1=NN=C(N1C)SCC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C13H15N3O2S/c1-9(17)12-14-15-13(16(12)2)19-8-11(18)10-6-4-3-5-7-10/h3-7,9,17H,8H2,1-2H3