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

Systemtic Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide Openeye Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide CAS Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-[(4-methoxyphenyl)methyl]propanamide IUPAC Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide Traditional Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-p-anisyl-propionamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NCC2=CC=C(C=C2)OC)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NCC2=CC=C(C=C2)OC)C3=CC=NC=C3

InChI

InChI=1S/C20H23N5O2S/c1-4-25-18(16-9-11-21-12-10-16)23-24-20(25)28-14(2)19(26)22-13-15-5-7-17(27-3)8-6-15/h5-12,14H,4,13H2,1-3H3,(H,22,26)