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

Systemtic Name: 3-chloranyl-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline Openeye Name: 3-chloro-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline CAS Name: 3-chloro-2-[[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-4-methylquinoline IUPAC Name: 3-chloro-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methylquinoline Traditional Name: 3-chloro-2-[[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-quinoline Formula: C20H23ClN4S MolecularWeight: 386.94142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NNC(=N3)CCC4CCCC4)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NNC(=N3)CCC4CCCC4)Cl

InChI

InChI=1S/C20H23ClN4S/c1-13-15-8-4-5-9-16(15)22-17(19(13)21)12-26-20-23-18(24-25-20)11-10-14-6-2-3-7-14/h4-5,8-9,14H,2-3,6-7,10-12H2,1H3,(H,23,24,25)