1-(4-bromophenyl)-4-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one

Systemtic Name: 1-(4-bromophenyl)-4-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C23H25BrN4OS MolecularWeight: 485.4398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H25BrN4OS/c24-19-12-10-18(11-13-19)21(29)9-6-16-30-23-26-25-22(17-27-14-4-5-15-27)28(23)20-7-2-1-3-8-20/h1-3,7-8,10-13H,4-6,9,14-17H2