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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSC2=NNC(=N2)N)Cl)C#N

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSC2=NNC(=N2)N)Cl)C#N

InChI

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