3-[3-[(4-bromophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[(4-bromophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(4-bromophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(4-bromophenyl)methylthio]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(4-bromophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(4-bromobenzyl)thio]-5-cyclopropyl-1,2,4-triazol-4-yl]propionamide Formula: C15H17BrN4OS MolecularWeight: 381.29068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CCC(=O)N)SCC3=CC=C(C=C3)Br

Isomeric SMILES

C1CC1C2=NN=C(N2CCC(=O)N)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C15H17BrN4OS/c16-12-5-1-10(2-6-12)9-22-15-19-18-14(11-3-4-11)20(15)8-7-13(17)21/h1-2,5-6,11H,3-4,7-9H2,(H2,17,21)