2-chloranyl-3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-quinoline

Systemtic Name: 2-chloranyl-3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-quinoline Openeye Name: 2-chloro-3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-quinoline CAS Name: 2-chloro-3-[[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-7-methoxyquinoline IUPAC Name: 2-chloro-3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxyquinoline Traditional Name: 2-chloro-3-[[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-quinoline Formula: C20H23ClN4OS MolecularWeight: 402.94082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)CSC3=NNC(=N3)CCC4CCCC4)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)CSC3=NNC(=N3)CCC4CCCC4)Cl

InChI

InChI=1S/C20H23ClN4OS/c1-26-16-8-7-14-10-15(19(21)22-17(14)11-16)12-27-20-23-18(24-25-20)9-6-13-4-2-3-5-13/h7-8,10-11,13H,2-6,9,12H2,1H3,(H,23,24,25)