2-chloranyl-3-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline

Systemtic Name: 2-chloranyl-3-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 2-chloro-3-[[4-(2-furylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 2-chloro-3-[[[4-(2-furanylmethyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 2-chloro-3-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 2-chloro-3-[[[4-(2-furfuryl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C21H20ClN5OS MolecularWeight: 425.9344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC5=CC=CC=C5N=C4Cl

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC5=CC=CC=C5N=C4Cl

InChI

InChI=1S/C21H20ClN5OS/c22-19-16(12-15-6-1-2-8-18(15)23-19)14-29-21-25-24-20(26-9-3-4-10-26)27(21)13-17-7-5-11-28-17/h1-2,5-8,11-12H,3-4,9-10,13-14H2