2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2,6-dimethylphenyl)acetamide Formula: C12H15N5OS MolecularWeight: 277.3454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C12H15N5OS/c1-7-4-3-5-8(2)10(7)14-9(18)6-19-12-15-11(13)16-17-12/h3-5H,6H2,1-2H3,(H,14,18)(H3,13,15,16,17)