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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)butanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)butanamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2,4-dimethylphenyl)butanamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)butanamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2,4-dimethylphenyl)butyramide Formula: C14H19N5OS MolecularWeight: 305.39856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)C)C)SC2=NNC(=N2)N

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)C)C)SC2=NNC(=N2)N

InChI

InChI=1S/C14H19N5OS/c1-4-11(21-14-17-13(15)18-19-14)12(20)16-10-6-5-8(2)7-9(10)3/h5-7,11H,4H2,1-3H3,(H,16,20)(H3,15,17,18,19)