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

Systemtic Name: N-aminocarbonyl-2-[[5-(2-bromophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-acetamide CAS Name: 2-[[5-(2-bromophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-carbamoylacetamide IUPAC Name: 2-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylacetamide Traditional Name: 2-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-carbamoyl-acetamide Formula: C18H16BrN5O2S MolecularWeight: 446.32094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC(=O)N)C3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC(=O)N)C3=CC=CC=C3Br

InChI

InChI=1S/C18H16BrN5O2S/c19-14-9-5-4-8-13(14)16-22-23-18(27-11-15(25)21-17(20)26)24(16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H3,20,21,25,26)