2-chloranyl-3-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-quinoline

Systemtic Name: 2-chloranyl-3-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-quinoline Openeye Name: 2-chloro-3-[[4-(2-furylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-quinoline CAS Name: 2-chloro-3-[[[4-(2-furanylmethyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethylquinoline IUPAC Name: 2-chloro-3-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethylquinoline Traditional Name: 2-chloro-3-[[[4-(2-furfuryl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-quinoline Formula: C23H24ClN5OS MolecularWeight: 453.98756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3CC4=CC=CO4)N5CCCC5)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3CC4=CC=CO4)N5CCCC5)Cl)C

InChI

InChI=1S/C23H24ClN5OS/c1-15-7-8-17-12-18(21(24)25-20(17)16(15)2)14-31-23-27-26-22(28-9-3-4-10-28)29(23)13-19-6-5-11-30-19/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3