2-[[4-[3-(dimethylamino)propyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[4-[3-(dimethylamino)propyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-[3-(dimethylamino)propyl]-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-[3-(dimethylamino)propyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-[3-(dimethylamino)propyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-[3-(dimethylamino)propyl]-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C18H26N6OS MolecularWeight: 374.50364

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC=NC=C3

Isomeric SMILES

CN(C)CCCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC=NC=C3

InChI

InChI=1S/C18H26N6OS/c1-22(2)10-5-13-24-17(15-6-8-19-9-7-15)20-21-18(24)26-14-16(25)23-11-3-4-12-23/h6-9H,3-5,10-14H2,1-2H3