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

Systemtic Name: 3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-3-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(benzylcarbamoyl)-3-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)NC(=O)NCC2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)NC(=O)NCC2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C20H22N6O2S/c1-2-26-18(16-8-11-21-12-9-16)24-25-20(26)29-13-10-17(27)23-19(28)22-14-15-6-4-3-5-7-15/h3-9,11-12H,2,10,13-14H2,1H3,(H2,22,23,27,28)