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

Systemtic Name: 3-chloranyl-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-chloro-4-methyl-quinoline CAS Name: 3-chloro-2-[[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methylquinoline IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-chloro-4-methylquinoline Traditional Name: 2-[[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-3-chloro-4-methyl-quinoline Formula: C22H21ClN4S MolecularWeight: 408.94694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=C2Cl)C)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=C2Cl)C)CC4=CC=CC=C4

InChI

InChI=1S/C22H21ClN4S/c1-3-27-20(13-16-9-5-4-6-10-16)25-26-22(27)28-14-19-21(23)15(2)17-11-7-8-12-18(17)24-19/h4-12H,3,13-14H2,1-2H3