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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C18H18BrN5OS MolecularWeight: 432.33742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C18H18BrN5OS/c19-15-9-5-4-8-14(15)17-22-23-18(24(17)20)26-12-16(25)21-11-10-13-6-2-1-3-7-13/h1-9H,10-12,20H2,(H,21,25)