2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-ethanoylphenyl)butanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-ethanoylphenyl)butanamide Openeye Name: N-(3-acetylphenyl)-2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanamide CAS Name: N-(3-acetylphenyl)-2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]butanamide IUPAC Name: N-(3-acetylphenyl)-2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanamide Traditional Name: N-(3-acetylphenyl)-2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]butyramide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)C)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)C)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C22H25N5O2S/c1-3-19(20(29)24-18-11-7-10-17(14-18)15(2)28)27-21(23)25-26-22(27)30-13-12-16-8-5-4-6-9-16/h4-11,14,19H,3,12-13H2,1-2H3,(H2,23,25)(H,24,29)