4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(2-methylpropyl)benzamide

Systemtic Name: 4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(2-methylpropyl)benzamide Openeye Name: 4-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-isobutyl-benzamide CAS Name: 4-[[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-N-(2-methylpropyl)benzamide IUPAC Name: 4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(2-methylpropyl)benzamide Traditional Name: 4-[[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-N-isobutyl-benzamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NCC(C)C)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NCC(C)C)C3=CC=NC=C3

InChI

InChI=1S/C21H25N5OS/c1-4-26-19(17-9-11-22-12-10-17)24-25-21(26)28-14-16-5-7-18(8-6-16)20(27)23-13-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,23,27)