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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(2,4-dichlorophenyl)butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(2,4-dichlorophenyl)butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(2,4-dichlorophenyl)butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(2,4-dichlorophenyl)butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(2,4-dichlorophenyl)butyramide Formula: C20H21Cl2N5OS MolecularWeight: 450.38464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)Cl)Cl)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)Cl)Cl)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C20H21Cl2N5OS/c1-2-17(18(28)24-16-9-8-14(21)12-15(16)22)27-19(23)25-26-20(27)29-11-10-13-6-4-3-5-7-13/h3-9,12,17H,2,10-11H2,1H3,(H2,23,25)(H,24,28)