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

Systemtic Name: 2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)ethanamide Openeye Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide CAS Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-(2,5-dimethylphenyl)acetamide IUPAC Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide Traditional Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-(2,5-dimethylphenyl)acetamide Formula: C16H23N5OS MolecularWeight: 333.45172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SCC(=O)NC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCCCC1=NN=C(N1N)SCC(=O)NC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C16H23N5OS/c1-4-5-6-14-19-20-16(21(14)17)23-10-15(22)18-13-9-11(2)7-8-12(13)3/h7-9H,4-6,10,17H2,1-3H3,(H,18,22)