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

Systemtic Name: 2-[[5-cyclohexyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[(4-benzyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-cyclohexyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[(4-benzyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-[(4-benzyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-phenyl-ethanone Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS/c27-21(19-12-6-2-7-13-19)17-28-23-25-24-22(20-14-8-3-9-15-20)26(23)16-18-10-4-1-5-11-18/h1-2,4-7,10-13,20H,3,8-9,14-17H2