N-[2-[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidine-1-carboxamide

Systemtic Name: N-[2-[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidine-1-carboxamide Openeye Name: N-[2-[4-methyl-5-(3-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidine-1-carboxamide CAS Name: N-[2-[4-methyl-5-(3-pyridinylmethylthio)-1,2,4-triazol-3-yl]ethyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[2-[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidine-1-carboxamide Traditional Name: N-[2-[4-methyl-5-(3-pyridylmethylthio)-1,2,4-triazol-3-yl]ethyl]pyrrolidine-1-carboxamide Formula: C16H22N6OS MolecularWeight: 346.45048

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CN=CC=C2)CCNC(=O)N3CCCC3

Isomeric SMILES

CN1C(=NN=C1SCC2=CN=CC=C2)CCNC(=O)N3CCCC3

InChI

InChI=1S/C16H22N6OS/c1-21-14(6-8-18-15(23)22-9-2-3-10-22)19-20-16(21)24-12-13-5-4-7-17-11-13/h4-5,7,11H,2-3,6,8-10,12H2,1H3,(H,18,23)