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

Systemtic Name: 2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(2-chlorophenyl)butanamide Openeye Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(2-chlorophenyl)butanamide CAS Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-(2-chlorophenyl)butanamide IUPAC Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(2-chlorophenyl)butanamide Traditional Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-(2-chlorophenyl)butyramide Formula: C14H18ClN5OS MolecularWeight: 339.84362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1Cl)N2C(=NN=C2SCC)N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1Cl)N2C(=NN=C2SCC)N

InChI

InChI=1S/C14H18ClN5OS/c1-3-11(20-13(16)18-19-14(20)22-4-2)12(21)17-10-8-6-5-7-9(10)15/h5-8,11H,3-4H2,1-2H3,(H2,16,18)(H,17,21)