2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)butanamide

Systemtic Name: 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)butanamide Openeye Name: 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)butanamide CAS Name: 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-bromophenyl)butanamide IUPAC Name: 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)butanamide Traditional Name: 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-bromophenyl)butyramide Formula: C19H20BrN5OS MolecularWeight: 446.364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2C)C3=CC(=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2C)C3=CC(=CC=C3)N

InChI

InChI=1S/C19H20BrN5OS/c1-3-16(18(26)22-15-9-7-13(20)8-10-15)27-19-24-23-17(25(19)2)12-5-4-6-14(21)11-12/h4-11,16H,3,21H2,1-2H3,(H,22,26)