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

Systemtic Name: 2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)propanamide Openeye Name: 2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(m-tolyl)propanamide CAS Name: 2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(3-methylphenyl)propanamide IUPAC Name: 2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)propanamide Traditional Name: 2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(m-tolyl)propionamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=CC(=C2)C)C3=CC=CC=C3Br

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=CC(=C2)C)C3=CC=CC=C3Br

InChI

InChI=1S/C20H21BrN4OS/c1-4-25-18(16-10-5-6-11-17(16)21)23-24-20(25)27-14(3)19(26)22-15-9-7-8-13(2)12-15/h5-12,14H,4H2,1-3H3,(H,22,26)