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

Systemtic Name: 3-chloranyl-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-quinoline Openeye Name: 3-chloro-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-quinoline CAS Name: 3-chloro-2-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-methylquinoline IUPAC Name: 3-chloro-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methylquinoline Traditional Name: 3-chloro-2-[[(4-cyclohexyl-5-methyl-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=NN=C(N3C4CCCCC4)C)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3C4CCCCC4)C)Cl

InChI

InChI=1S/C20H23ClN4S/c1-13-16-10-6-7-11-17(16)22-18(19(13)21)12-26-20-24-23-14(2)25(20)15-8-4-3-5-9-15/h6-7,10-11,15H,3-5,8-9,12H2,1-2H3