2-[[4-azanyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-acetamide CAS Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynylacetamide Traditional Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-propargyl-acetamide Formula: C13H12BrN5OS MolecularWeight: 366.23628

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CSC1=NN=C(N1N)C2=CC(=CC=C2)Br

Isomeric SMILES

C#CCNC(=O)CSC1=NN=C(N1N)C2=CC(=CC=C2)Br

InChI

InChI=1S/C13H12BrN5OS/c1-2-6-16-11(20)8-21-13-18-17-12(19(13)15)9-4-3-5-10(14)7-9/h1,3-5,7H,6,8,15H2,(H,16,20)