2-chloranyl-3-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-quinoline

Systemtic Name: 2-chloranyl-3-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-quinoline Openeye Name: 2-chloro-3-[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-quinoline CAS Name: 2-chloro-3-[[[4-ethyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethylquinoline IUPAC Name: 2-chloro-3-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethylquinoline Traditional Name: 2-chloro-3-[[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-quinoline Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(N=C3C(=C(C=CC3=C2)C)C)Cl)C4=C(OC=C4)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(N=C3C(=C(C=CC3=C2)C)C)Cl)C4=C(OC=C4)C

InChI

InChI=1S/C21H21ClN4OS/c1-5-26-20(17-8-9-27-14(17)4)24-25-21(26)28-11-16-10-15-7-6-12(2)13(3)18(15)23-19(16)22/h6-10H,5,11H2,1-4H3