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

Systemtic Name: [1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-phenyl-5-[(2-pyrimidylthio)methyl]triazol-4-yl]-pyrrolidino-methanone Formula: C18H18N6OS MolecularWeight: 366.44012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6OS/c25-17(23-11-4-5-12-23)16-15(13-26-18-19-9-6-10-20-18)24(22-21-16)14-7-2-1-3-8-14/h1-3,6-10H,4-5,11-13H2