[1-(4-bromophenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-(4-bromophenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-(4-bromophenyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-(4-bromophenyl)-5-[(2-pyrimidinylthio)methyl]-4-triazolyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-(4-bromophenyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-(4-bromophenyl)-5-[(2-pyrimidylthio)methyl]triazol-4-yl]-pyrrolidino-methanone Formula: C18H17BrN6OS MolecularWeight: 445.33618

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=C(N(N=N2)C3=CC=C(C=C3)Br)CSC4=NC=CC=N4

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(N(N=N2)C3=CC=C(C=C3)Br)CSC4=NC=CC=N4

InChI

InChI=1S/C18H17BrN6OS/c19-13-4-6-14(7-5-13)25-15(12-27-18-20-8-3-9-21-18)16(22-23-25)17(26)24-10-1-2-11-24/h3-9H,1-2,10-12H2