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

Systemtic Name: 2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(3,4-dichlorophenyl)butanamide Openeye Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(3,4-dichlorophenyl)butanamide CAS Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(3,4-dichlorophenyl)butanamide IUPAC Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(3,4-dichlorophenyl)butanamide Traditional Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(3,4-dichlorophenyl)butyramide Formula: C13H15Cl2N5OS MolecularWeight: 360.2621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15Cl2N5OS/c1-3-10(20-12(16)18-19-13(20)22-2)11(21)17-7-4-5-8(14)9(15)6-7/h4-6,10H,3H2,1-2H3,(H2,16,18)(H,17,21)