2-[[4-azanyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide CAS Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide Traditional Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)acetamide Formula: C16H12BrCl2N5OS MolecularWeight: 473.17438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC(=O)CSC2=NN=C(N2N)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=O)CSC2=NN=C(N2N)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H12BrCl2N5OS/c17-9-2-1-3-11(6-9)21-14(25)8-26-16-23-22-15(24(16)20)12-5-4-10(18)7-13(12)19/h1-7H,8,20H2,(H,21,25)