3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2,2-dimethyl-N-phenyl-propanamide

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2,2-dimethyl-N-phenyl-propanamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2,2-dimethyl-N-phenyl-propanamide CAS Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-2,2-dimethyl-N-phenylpropanamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2,2-dimethyl-N-phenylpropanamide Traditional Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-2,2-dimethyl-N-phenyl-propionamide Formula: C13H17N5OS MolecularWeight: 291.37198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSC1=NNC(=N1)N)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)(CSC1=NNC(=N1)N)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C13H17N5OS/c1-13(2,8-20-12-16-11(14)17-18-12)10(19)15-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,19)(H3,14,16,17,18)