2-[[4-(2,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[4-(2,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(2,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(2,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-(2,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(2,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=C2SCC(=O)N)C3=CC=NC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=C2SCC(=O)N)C3=CC=NC=C3)C

InChI

InChI=1S/C17H17N5OS/c1-11-3-4-14(12(2)9-11)22-16(13-5-7-19-8-6-13)20-21-17(22)24-10-15(18)23/h3-9H,10H2,1-2H3,(H2,18,23)