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

Systemtic Name: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)ethanamide Openeye Name: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide CAS Name: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide Traditional Name: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(4-bromophenyl)acetamide Formula: C18H18BrN5OS MolecularWeight: 432.33742

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)C3=CC=C(C=C3)N

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)C3=CC=C(C=C3)N

InChI

InChI=1S/C18H18BrN5OS/c1-2-24-17(12-3-7-14(20)8-4-12)22-23-18(24)26-11-16(25)21-15-9-5-13(19)6-10-15/h3-10H,2,11,20H2,1H3,(H,21,25)