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

Systemtic Name: 2-chloranyl-3-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 2-chloro-3-[[5-cyclopropyl-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 2-chloro-3-[[[5-cyclopropyl-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 2-chloro-3-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 2-chloro-3-[[[5-cyclopropyl-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CO3)SCC4=CC5=CC=CC=C5N=C4Cl

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CO3)SCC4=CC5=CC=CC=C5N=C4Cl

InChI

InChI=1S/C20H17ClN4OS/c21-18-15(10-14-4-1-2-6-17(14)22-18)12-27-20-24-23-19(13-7-8-13)25(20)11-16-5-3-9-26-16/h1-6,9-10,13H,7-8,11-12H2