2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-chloranyl-4-methyl-phenyl)butanamide

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-chloranyl-4-methyl-phenyl)butanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chloro-4-methyl-phenyl)butanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(3-chloro-4-methylphenyl)butanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chloro-4-methylphenyl)butanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(3-chloro-4-methyl-phenyl)butyramide Formula: C20H22ClN5OS MolecularWeight: 415.93958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)C)Cl)N2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)C)Cl)N2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C20H22ClN5OS/c1-3-17(18(27)23-15-10-9-13(2)16(21)11-15)26-19(22)24-25-20(26)28-12-14-7-5-4-6-8-14/h4-11,17H,3,12H2,1-2H3,(H2,22,24)(H,23,27)