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

Systemtic Name: 2-chloranyl-3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-quinoline Openeye Name: 2-chloro-3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-quinoline CAS Name: 2-chloro-3-[[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethylquinoline IUPAC Name: 2-chloro-3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethylquinoline Traditional Name: 2-chloro-3-[[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-quinoline Formula: C21H25ClN4S MolecularWeight: 400.968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NNC(=N3)CCC4CCCC4)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NNC(=N3)CCC4CCCC4)Cl)C

InChI

InChI=1S/C21H25ClN4S/c1-13-7-9-16-11-17(20(22)24-19(16)14(13)2)12-27-21-23-18(25-26-21)10-8-15-5-3-4-6-15/h7,9,11,15H,3-6,8,10,12H2,1-2H3,(H,23,25,26)