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

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-butyl-ethanamide Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-acetamide CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-butylacetamide IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-butylacetamide Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-butyl-acetamide Formula: C13H18N6OS MolecularWeight: 306.38662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NN=C(N1N)C2=CN=CC=C2

Isomeric SMILES

CCCCNC(=O)CSC1=NN=C(N1N)C2=CN=CC=C2

InChI

InChI=1S/C13H18N6OS/c1-2-3-7-16-11(20)9-21-13-18-17-12(19(13)14)10-5-4-6-15-8-10/h4-6,8H,2-3,7,9,14H2,1H3,(H,16,20)