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

Systemtic Name: N-ethyl-N-(phenylmethyl)-2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-benzyl-2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-acetamide CAS Name: N-ethyl-N-(phenylmethyl)-2-[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-benzyl-2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylacetamide Traditional Name: N-benzyl-2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-ethyl-acetamide Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C25H25N5OS/c1-2-29(17-20-10-5-3-6-11-20)23(31)19-32-25-28-27-24(22-14-9-15-26-16-22)30(25)18-21-12-7-4-8-13-21/h3-16H,2,17-19H2,1H3