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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloranylpyridin-3-yl)ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-3-pyridyl)acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-chloro-3-pyridinyl)acetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloropyridin-3-yl)acetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-chloro-3-pyridyl)acetamide Formula: C12H13ClN6OS MolecularWeight: 324.78922

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC(=O)NC3=C(N=CC=C3)Cl

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC(=O)NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C12H13ClN6OS/c13-10-8(2-1-5-15-10)16-9(20)6-21-12-18-17-11(19(12)14)7-3-4-7/h1-2,5,7H,3-4,6,14H2,(H,16,20)