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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)ethanamide Openeye Name: 2-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-isobutyl-acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide Traditional Name: 2-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-isobutyl-acetamide Formula: C17H21BrN4OS MolecularWeight: 409.34384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)CNC(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H21BrN4OS/c1-4-9-22-16(13-5-7-14(18)8-6-13)20-21-17(22)24-11-15(23)19-10-12(2)3/h4-8,12H,1,9-11H2,2-3H3,(H,19,23)