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

Systemtic Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)propanamide Openeye Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)propanamide CAS Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-dimethylaminophenyl)propanamide IUPAC Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)propanamide Traditional Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-dimethylaminophenyl)propionamide Formula: C19H20BrN5OS MolecularWeight: 446.364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NNC(=N2)C3=CC=CC=C3Br

InChI

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