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

Systemtic Name: N-cyclohexyl-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenyl-acetamide CAS Name: N-cyclohexyl-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-cyclohexyl-N-phenyl-acetamide Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4OS/c1-2-28-23(18-20-12-6-3-7-13-20)26-27-25(28)31-19-24(30)29(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-4,6-9,12-15,22H,2,5,10-11,16-19H2,1H3