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

Systemtic Name: 2-chloranyl-7,8-dimethyl-3-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 3-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-chloro-7,8-dimethyl-quinoline CAS Name: 2-chloro-7,8-dimethyl-3-[[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 3-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-chloro-7,8-dimethylquinoline Traditional Name: 3-[[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-2-chloro-7,8-dimethyl-quinoline Formula: C22H21ClN4S MolecularWeight: 408.94694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3C)CC4=CC=CC=C4)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3C)CC4=CC=CC=C4)Cl)C

InChI

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