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

Systemtic Name: 2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-ethanoylphenyl)butanamide Openeye Name: N-(3-acetylphenyl)-2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanamide CAS Name: N-(3-acetylphenyl)-2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]butanamide IUPAC Name: N-(3-acetylphenyl)-2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanamide Traditional Name: N-(3-acetylphenyl)-2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]butyramide Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O2S/c1-4-13(21-15(17)19-20-16(21)24-5-2)14(23)18-12-8-6-7-11(9-12)10(3)22/h6-9,13H,4-5H2,1-3H3,(H2,17,19)(H,18,23)