N-(2-chloranyl-4-methyl-phenyl)-2-[(5-methyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-2-[(5-methyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-2-[[5-methyl-4-(8-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-chloro-4-methylphenyl)-2-[[5-methyl-4-(8-quinolinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-chloro-4-methylphenyl)-2-[(5-methyl-4-quinolin-8-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-2-[[5-methyl-4-(8-quinolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H18ClN5OS MolecularWeight: 423.91852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC4=C3N=CC=C4)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC4=C3N=CC=C4)C)Cl

InChI

InChI=1S/C21H18ClN5OS/c1-13-8-9-17(16(22)11-13)24-19(28)12-29-21-26-25-14(2)27(21)18-7-3-5-15-6-4-10-23-20(15)18/h3-11H,12H2,1-2H3,(H,24,28)