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

Systemtic Name: 2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethanoylphenyl)butanamide Openeye Name: N-(4-acetylphenyl)-2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)butanamide CAS Name: N-(4-acetylphenyl)-2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]butanamide IUPAC Name: N-(4-acetylphenyl)-2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)butanamide Traditional Name: N-(4-acetylphenyl)-2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]butyramide Formula: C15H19N5O2S MolecularWeight: 333.40866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N5O2S/c1-4-12(20-14(16)18-19-15(20)23-3)13(22)17-11-7-5-10(6-8-11)9(2)21/h5-8,12H,4H2,1-3H3,(H2,16,18)(H,17,22)