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

Systemtic Name: 2-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-8-yl-ethanamide Openeye Name: 2-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(8-quinolyl)acetamide CAS Name: 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(8-quinolinyl)acetamide IUPAC Name: 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-8-ylacetamide Traditional Name: 2-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]-N-(8-quinolyl)acetamide Formula: C20H16ClN5OS MolecularWeight: 409.89194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC=CC4=C3N=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC=CC4=C3N=CC=C4)Cl

InChI

InChI=1S/C20H16ClN5OS/c1-13-7-8-15(10-16(13)21)26-12-23-25-20(26)28-11-18(27)24-17-6-2-4-14-5-3-9-22-19(14)17/h2-10,12H,11H2,1H3,(H,24,27)