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

Systemtic Name: 2-[[5-(2-bromophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(2-bromophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-prop-2-enylacetamide IUPAC Name: 2-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H19BrN4OS MolecularWeight: 443.36006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3Br

Isomeric SMILES

C=CCNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3Br

InChI

InChI=1S/C20H19BrN4OS/c1-2-12-22-18(26)14-27-20-24-23-19(16-10-6-7-11-17(16)21)25(20)13-15-8-4-3-5-9-15/h2-11H,1,12-14H2,(H,22,26)