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

Systemtic Name: 2-[[5-(2-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: 2-[[4-allyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: 2-[[5-(2-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: 2-[[5-(2-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide Traditional Name: 2-[[4-allyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-propionamide Formula: C20H19BrN4OS MolecularWeight: 443.36006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CC=CC=C3Br

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CC=CC=C3Br

InChI

InChI=1S/C20H19BrN4OS/c1-3-13-25-18(16-11-7-8-12-17(16)21)23-24-20(25)27-14(2)19(26)22-15-9-5-4-6-10-15/h3-12,14H,1,13H2,2H3,(H,22,26)