N-(2-cyanoethyl)-N-phenyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H24N6OS MolecularWeight: 420.53056

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC(C)C(=O)N(CCC#N)C2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SC(C)C(=O)N(CCC#N)C2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C22H24N6OS/c1-3-15-28-20(18-10-13-24-14-11-18)25-26-22(28)30-17(2)21(29)27(16-7-12-23)19-8-5-4-6-9-19/h4-6,8-11,13-14,17H,3,7,15-16H2,1-2H3