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

Systemtic Name: N-(4-bromophenyl)-3-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-bromophenyl)-3-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-bromophenyl)-3-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-bromophenyl)-3-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-bromophenyl)-3-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C17H16BrN5OS MolecularWeight: 418.31084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)NC2=CC=C(C=C2)Br)C3=CN=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)NC2=CC=C(C=C2)Br)C3=CN=CC=C3

InChI

InChI=1S/C17H16BrN5OS/c1-23-16(12-3-2-9-19-11-12)21-22-17(23)25-10-8-15(24)20-14-6-4-13(18)5-7-14/h2-7,9,11H,8,10H2,1H3,(H,20,24)