(2S)-2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenyl-ethanamide Openeye Name: (2S)-2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenyl-acetamide CAS Name: (2S)-2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-2-phenylacetamide IUPAC Name: (2S)-2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenylacetamide Traditional Name: (2S)-2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-2-phenyl-acetamide Formula: C19H18BrN5OS MolecularWeight: 444.34812

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3N)C4=CC=CC=C4Br

Isomeric SMILES

C1CC1NC(=O)[C@H](C2=CC=CC=C2)SC3=NN=C(N3N)C4=CC=CC=C4Br

InChI

InChI=1S/C19H18BrN5OS/c20-15-9-5-4-8-14(15)17-23-24-19(25(17)21)27-16(12-6-2-1-3-7-12)18(26)22-13-10-11-13/h1-9,13,16H,10-11,21H2,(H,22,26)/t16-/m0/s1