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

Systemtic Name: 2-chloranyl-3-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-quinoline Openeye Name: 2-chloro-3-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-quinoline CAS Name: 2-chloro-3-[[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethylquinoline IUPAC Name: 2-chloro-3-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethylquinoline Traditional Name: 2-chloro-3-[[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-quinoline Formula: C22H22ClN5OS MolecularWeight: 439.96098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3CCOC)C4=CC=NC=C4)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NN=C(N3CCOC)C4=CC=NC=C4)Cl)C

InChI

InChI=1S/C22H22ClN5OS/c1-14-4-5-17-12-18(20(23)25-19(17)15(14)2)13-30-22-27-26-21(28(22)10-11-29-3)16-6-8-24-9-7-16/h4-9,12H,10-11,13H2,1-3H3