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

Systemtic Name: 3-chloranyl-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline Openeye Name: 3-chloro-2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline CAS Name: 3-chloro-2-[[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-4-methylquinoline IUPAC Name: 3-chloro-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methylquinoline Traditional Name: 3-chloro-2-[[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-quinoline Formula: C21H20ClN5OS MolecularWeight: 425.9344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3CCOC)C4=CC=NC=C4)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3CCOC)C4=CC=NC=C4)Cl

InChI

InChI=1S/C21H20ClN5OS/c1-14-16-5-3-4-6-17(16)24-18(19(14)22)13-29-21-26-25-20(27(21)11-12-28-2)15-7-9-23-10-8-15/h3-10H,11-13H2,1-2H3