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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylpropyl)propanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylpropyl)propanamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenylpropyl)propanamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylpropyl)propanamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenylpropyl)propionamide Formula: C20H22BrN5OS MolecularWeight: 460.39058

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(C)SC1=NN=C(N1N)C2=CC=CC=C2Br)C3=CC=CC=C3

Isomeric SMILES

CC(CNC(=O)C(C)SC1=NN=C(N1N)C2=CC=CC=C2Br)C3=CC=CC=C3

InChI

InChI=1S/C20H22BrN5OS/c1-13(15-8-4-3-5-9-15)12-23-19(27)14(2)28-20-25-24-18(26(20)22)16-10-6-7-11-17(16)21/h3-11,13-14H,12,22H2,1-2H3,(H,23,27)