2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloranyl-2-cyano-phenyl)ethanamide

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloranyl-2-cyano-phenyl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-cyano-phenyl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(5-chloro-2-cyanophenyl)acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-cyanophenyl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(5-chloro-2-cyano-phenyl)acetamide Formula: C11H9ClN6OS MolecularWeight: 308.74676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)NC(=O)CSC2=NNC(=N2)N)C#N

Isomeric SMILES

C1=CC(=C(C=C1Cl)NC(=O)CSC2=NNC(=N2)N)C#N

InChI

InChI=1S/C11H9ClN6OS/c12-7-2-1-6(4-13)8(3-7)15-9(19)5-20-11-16-10(14)17-18-11/h1-3H,5H2,(H,15,19)(H3,14,16,17,18)