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

Systemtic Name: N-[4-[5-[(3-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]phenyl]propanamide Openeye Name: N-[4-[5-[(3-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]phenyl]propanamide CAS Name: N-[4-[5-[(3-bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]phenyl]propanamide IUPAC Name: N-[4-[5-[(3-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]phenyl]propanamide Traditional Name: N-[4-[5-[(3-bromobenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]phenyl]propionamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C2=NN=C(N2CC)SCC3=CC(=CC=C3)Br

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C2=NN=C(N2CC)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H21BrN4OS/c1-3-18(26)22-17-10-8-15(9-11-17)19-23-24-20(25(19)4-2)27-13-14-6-5-7-16(21)12-14/h5-12H,3-4,13H2,1-2H3,(H,22,26)