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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)propanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)propanamide CAS Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)propanamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)propanamide Traditional Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)propionamide Formula: C19H18BrN5O2S MolecularWeight: 460.34752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Br)SC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)Br)SC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C19H18BrN5O2S/c1-12(18(27)23-15-6-3-5-14(20)9-15)28-19-24-21-11-25(19)17-8-4-7-16(10-17)22-13(2)26/h3-12H,1-2H3,(H,22,26)(H,23,27)