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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN5OS/c1-3-17(18(27)23-16-11-15(21)10-9-13(16)2)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)