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

Systemtic Name: N,N-dicyclohexyl-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dicyclohexyl-acetamide CAS Name: N,N-dicyclohexyl-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dicyclohexylacetamide Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N,N-dicyclohexyl-acetamide Formula: C25H36N4OS MolecularWeight: 440.64454

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H36N4OS/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/h3,6-7,12-13,21-22H,2,4-5,8-11,14-19H2,1H3