2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-oxidanyl-pyran-4-one

Systemtic Name: 2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-oxidanyl-pyran-4-one Openeye Name: 2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-hydroxy-pyran-4-one CAS Name: 2-[[[4-(3-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-5-hydroxy-4-pyranone IUPAC Name: 2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-hydroxypyran-4-one Traditional Name: 2-[[[4-(3-chlorophenyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]methyl]-5-hydroxy-pyran-4-one Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3=CC(=CC=C3)Cl)SCC4=CC(=O)C(=CO4)O

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3=CC(=CC=C3)Cl)SCC4=CC(=O)C(=CO4)O

InChI

InChI=1S/C18H17ClN4O3S/c19-12-4-3-5-13(8-12)23-17(22-6-1-2-7-22)20-21-18(23)27-11-14-9-15(24)16(25)10-26-14/h3-5,8-10,25H,1-2,6-7,11H2