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

Systemtic Name: 2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3,5-dimethylphenyl)butanamide Openeye Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3,5-dimethylphenyl)butanamide CAS Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-(3,5-dimethylphenyl)butanamide IUPAC Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3,5-dimethylphenyl)butanamide Traditional Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-(3,5-dimethylphenyl)butyramide Formula: C16H23N5OS MolecularWeight: 333.45172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)C)C)N2C(=NN=C2SCC)N

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)C)C)N2C(=NN=C2SCC)N

InChI

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