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

Systemtic Name: 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-phenylethanone IUPAC Name: 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-phenyl-ethanone Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C17H21N3OS/c1-20-16(14-10-6-3-7-11-14)18-19-17(20)22-12-15(21)13-8-4-2-5-9-13/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3