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

Systemtic Name: N-(3-chloranyl-4-morpholin-4-yl-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-morpholino-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[3-chloro-4-(4-morpholinyl)phenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-morpholino-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H22ClN5O2S MolecularWeight: 443.94968

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)N3CCOCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)N3CCOCC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H22ClN5O2S/c1-26-20(15-5-3-2-4-6-15)24-25-21(26)30-14-19(28)23-16-7-8-18(17(22)13-16)27-9-11-29-12-10-27/h2-8,13H,9-12,14H2,1H3,(H,23,28)