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

Systemtic Name: 2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chlorophenyl)butanamide Openeye Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chlorophenyl)butanamide CAS Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(3-chlorophenyl)butanamide IUPAC Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chlorophenyl)butanamide Traditional Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(3-chlorophenyl)butyramide Formula: C13H16ClN5OS MolecularWeight: 325.81704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN5OS/c1-3-10(19-12(15)17-18-13(19)21-2)11(20)16-9-6-4-5-8(14)7-9/h4-7,10H,3H2,1-2H3,(H2,15,17)(H,16,20)