2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(3,4-dimethylphenyl)butanamide

Systemtic Name: 2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(3,4-dimethylphenyl)butanamide Openeye Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(3,4-dimethylphenyl)butanamide CAS Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(3,4-dimethylphenyl)butanamide IUPAC Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(3,4-dimethylphenyl)butanamide Traditional Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(3,4-dimethylphenyl)butyramide Formula: C15H21N5OS MolecularWeight: 319.42514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)C)C)N2C(=NN=C2SC)N

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)C)C)N2C(=NN=C2SC)N

InChI

InChI=1S/C15H21N5OS/c1-5-12(20-14(16)18-19-15(20)22-4)13(21)17-11-7-6-9(2)10(3)8-11/h6-8,12H,5H2,1-4H3,(H2,16,18)(H,17,21)