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

Systemtic Name: N-(3-cyanophenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(3-cyanophenyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(3-cyanophenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(3-cyanophenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(3-cyanophenyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H18N6OS MolecularWeight: 378.45082

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=CC(=C2)C#N)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=CC(=C2)C#N)C3=CC=NC=C3

InChI

InChI=1S/C19H18N6OS/c1-3-25-17(15-7-9-21-10-8-15)23-24-19(25)27-13(2)18(26)22-16-6-4-5-14(11-16)12-20/h4-11,13H,3H2,1-2H3,(H,22,26)