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

Systemtic Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: N-(benzylcarbamoyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(benzylcarbamoyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC(=O)NCC2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC(=O)NCC2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C19H20N6O2S/c1-2-25-17(15-8-10-20-11-9-15)23-24-19(25)28-13-16(26)22-18(27)21-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H2,21,22,26,27)