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

Systemtic Name: 2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloranyl-4-cyano-phenyl)ethanamide Openeye Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-cyano-phenyl)acetamide CAS Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-(3-chloro-4-cyanophenyl)acetamide IUPAC Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-cyanophenyl)acetamide Traditional Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-(3-chloro-4-cyano-phenyl)acetamide Formula: C12H11ClN6OS MolecularWeight: 322.77334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CC1=NN=C(N1N)SCC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C12H11ClN6OS/c1-7-17-18-12(19(7)15)21-6-11(20)16-9-3-2-8(5-14)10(13)4-9/h2-4H,6,15H2,1H3,(H,16,20)