N-phenylethanamide; 4-phenyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: N-phenylethanamide; 4-phenyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: N-phenylacetamide; 4-phenyl-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: N-phenylacetamide; 4-phenyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: N-phenylacetamide; 4-phenyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: N-phenylacetamide; 4-phenyl-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1.C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=NC=C3

Isomeric SMILES

CC(=O)NC1=CC=CC=C1.C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=NC=C3

InChI

InChI=1S/C13H10N4S.C8H9NO/c18-13-16-15-12(10-6-8-14-9-7-10)17(13)11-4-2-1-3-5-11;1-7(10)9-8-5-3-2-4-6-8/h1-9H,(H,16,18);2-6H,1H3,(H,9,10)