2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-butan-2-ylphenyl)propanamide

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-butan-2-ylphenyl)propanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-sec-butylphenyl)propanamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-butan-2-ylphenyl)propanamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-butan-2-ylphenyl)propanamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-sec-butylphenyl)propionamide Formula: C21H24BrN5OS MolecularWeight: 474.41716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C21H24BrN5OS/c1-4-13(2)15-9-6-8-12-18(15)24-20(28)14(3)29-21-26-25-19(27(21)23)16-10-5-7-11-17(16)22/h5-14H,4,23H2,1-3H3,(H,24,28)