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

Systemtic Name: 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)ethanamide Openeye Name: 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide CAS Name: 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide Traditional Name: 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-bromophenyl)acetamide Formula: C17H16BrN5OS MolecularWeight: 418.31084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)C3=CC(=CC=C3)N

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)C3=CC(=CC=C3)N

InChI

InChI=1S/C17H16BrN5OS/c1-23-16(11-3-2-4-13(19)9-11)21-22-17(23)25-10-15(24)20-14-7-5-12(18)6-8-14/h2-9H,10,19H2,1H3,(H,20,24)